bluuebunny/crossref_metadata_2025 huggingface dataset:
Contribution of different spawning components to the mixed stock fishery for cod in Icelandic waters
Authors: Jónsdóttir Ingibjörg G. , Marteinsdottir Gudrun , Campana Steven E.
Published: November 2007

Jónsdóttir, I. G., Marteinsdottir, G., and Campana, S. E. 2007. Contribution of different spawning components to the mixed stock fishery for cod in Icelandic waters. – ICES Journal of Marine Science, 64: 000–000. Otolith chemistry and length-at-age were used to estimate the contribution of different spawning components to the harvested stock of cod (Gadus morhua) at two of their main feeding grounds northwest and east of Iceland. Spawning cod were sampled at different spawning locations around Iceland in spring of 2002 and 2003. Significant differences were detected between cod from the different spawning locations. Cod of unknown stock origin were also sampled at two of the main feeding grounds in October of the same years. Analyses based on maximum likelihood were used to estimate the proportion of each spawning group in the mixed stock catches using otolith chemistry and fish length-at-age. Attempts to use otolith shape to estimate the contribution of the spawning groups to the mixed harvested stock were, however, unsuccessful. The results indicated that spawning locations northwest and north of Iceland, as well as in water deeper than 125 m south of Iceland, contributed the most to the harvested stock. Cod spawning shallower than 125 m south of Iceland did not contribute to the feeding grounds in October of 2002 and 2003. Therefore, exploitation of the feeding stock mixtures seems to be based on spawning components that have previously been considered to be of minor importance to the Icelandic cod stock.
Ontogenetic scaling of foot musculoskeletal anatomy in elephants
Authors: Miller C.E , Basu C , Fritsch G , Hildebrandt T , Hutchinson J.R
Published: November 2007

This study quantifies the shape change in elephant manus and pes anatomy with increasing body mass, using computed tomographic scanning. Most manus and pes bones, and manus tendons, maintain their shape, or become more gracile, through ontogeny. Contrary to this, tendons of the pes become significantly more robust, suggesting functional adaptation to increasingly high loads. Ankle tendon cross-sectional area (CSA) scales the highest in the long digital extensor, proportional to body mass1.08±0.21, significantly greater than the highest-scaling wrist tendon (extensor carpi ulnaris, body mass0.69±0.09). These patterns of shape change relate to the marked anatomical differences between the pillar-like manus and tripod-like pes, consistent with differences in fore- and hindlimb locomotor function. The cartilaginous predigits (prepollux and prehallux) of the manus and pes also become relatively more robust through ontogeny, and their pattern of shape change does not resemble that seen in any of the 10 metacarpals and metatarsals. Their CSAs scale above isometry proportional to body mass0.73±0.09and body mass0.82±0.07respectively. We infer a supportive function for these structures, preventing collapse of the foot pad during locomotion.
Experiments on vertical slender flexible cylinders clamped at both ends and subjected to axial flow
Authors: Modarres-Sadeghi Y , Païdoussis M.P , Semler C , Grinevich E
Published: November 2007

Three series of experiments were conducted on vertical clamped–clamped cylinders in order to observe experimentally the dynamical behaviour of the system, and the results are compared with theoretical predictions. In the first series of experiments, the downstream end of the clamped–clamped cylinder was free to slide axially, while in the second, the downstream end was fixed; the influence of externally applied axial compression was also studied in this series of experiments. The third series of experiments was similar to the second, except that a considerably more slender, hollow cylinder was used. In these experiments, the cylinder lost stability by divergence at a sufficiently high flow velocity and the amplitude of buckling increased thereafter. At higher flow velocities, the cylinder lost stability by flutter (attainable only in the third series of experiments), confirming experimentally the existence of a post-divergence oscillatory instability, which was previously predicted by both linear and nonlinear theory. Good quantitative agreement is obtained between theory and experiment for the amplitude of buckling, and for the critical flow velocities.
Ethyl 2-[2-acetyl-5-(3-methylbut-2-enyloxy)phenoxy]acetate
Authors: Zhang Cunyan , Li Hui , Liu Dengke , Liu Mo
Published: November 2007

In the title compound, C17H22O5, an intermediate in the synthesis of the antiulcer agent sofalcone, centrosymmetric dimers are formed in the crystal structure due to a strong C—H...O interaction (H...O = 2.41 Å and C—H...O = 170°).
A diterpenoid from Isodon japonica var. glaucocalyx
Authors: Ma Xing-Ke , He Zhi-An , Bai Su-Ping
Published: November 2007

The title compound, 7α,14β-dihydroxy-ent-kaur-16-ene-3,5-dione or glaucocalyxin A, C20H28O4, a natural ent-kaurane diterpenoid, is composed of four rings with the expected cis and trans junctions. In the crystal structure, the molecules are linked together by O—H...O hydrogen bonds to form double chains running along the shortest cell axis.
(Acetonitrile-κN)trichloridogallium(III)
Authors: Schaffrath Markus , Schulz Axel , Villinger Alexander
Published: November 2007

In the title complex, [GaCl3(CH3CN)], the GaIII atom shows a slightly distorted tetrahedral coordination, with three Cl atoms and one N atom of the acetonitrile as ligands. The Ga atom, one Cl atom, the N atom, both C atoms and one H atom of the acetonitrile molecule are situated on a mirror plane. The crystal packing is stabilized by several weak intermolecular C—H...Cl hydrogen-bonding contacts.
Ornidazole hemihydrate
Authors: Deng Liping , Wang Wei , Lv Jianguo
Published: November 2007

The asymmetric unit of the racemic title compound, C7H10ClN3O3·0.5H2O, has two independent molecules of ornidazole. The crystal structure is formed via intermolecular hydrogen bonds involving the water molecules.
(E)-N-(2-Bromophenyl)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxamide
Authors: Liu Dong-Qing , Yan Fan-Yong
Published: November 2007

In the title compound, C15H14BrClF3NO, the benzene and cyclopropane rings make a dihedral angle of 76.3 (3)°. The amide and methine H atoms are both linked to the amide O atom in an adjacent molecule by a pair of intermolecular hydrogen bonds, N—H...O...H—C, leading to the formation of chains along the b axis.
catena-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ2
N,N′)lead(II)]-di-μ-2-hydroxybenzoato-κ3
O
1,O
1′:O
2;κ3
O
2:O
1,O
1′]
Authors: Xuan Xiao-Peng , Zhao Pei-Zheng
Published: November 2007

In the title polymeric comound, [Pb(C7H5O3)2(C14H12N2)]
n
, the PbII atom is located on a twofold rotation axis and is coordinated by two N atoms from one 2,9-dimethyl-1,10-phenanthroline (dmphen) ligand and six O atoms from four 2-hydroxybenzoate anions. The compound forms a zigzag polymeric chain along the c axis through bridging hydroxy groups of two 2-hydroxybenzoate ligands. The crystal packing is stabilized by the intramolecular hydrogen bonding and π–π interactions between dmphen rings of neighboring molecules, with a distance between the ring planes of 3.385 (3) Å.
1-Hydroxycyclohexanecarboxylic acid
Authors: Xu Liang-zhong , An Guang-Wei , Yang Xu-Dong , Yi Xu
Published: November 2007

The title compound, C7H12O3, was synthesized as an intermediate for the synthesis of the selective broad-spectrum nonsystemic acaricide spirodiclofen (trade name Envidor). The cyclohexane ring adopts a chair conformation. The molecules pack in layers, with O—H...O hydrogen bonds connecting the layers on one side and only van der Waals interactions on the other side.
Trichlorido(N,N-dimethylformamide-κO)bis(1,10-phenanthroline-κ2
N,N′)lanthanum(III) N,N-dimethylformamide disolvate
Authors: Zhou Li-Ming , Sun Guang-Hui , Gao Li-Jun , Fang Shao-Ming , Yan Wei-Dong
Published: November 2007

In the title compound, [LaCl3(C12H8N2)2(C3H7NO)]·2C3H7NO, the LaIII ion is eight-coordinated by four N donors from two 1,10-phenanthroline ligands, one O atom from one N,N-dimethylformamide molecule and three chloride anions. In the crystal structure, the LaIII mononuclear units are linked to form a chain along the a axis by weak C—H...Cl hydrogen bonds. The chains are crosslinked to form a two-dimensional network parallel to the ab plane by π–π stacking interactions between the phen rings [centroid–centroid seperations range from 3.589 (2) to 3.708 (2) Å].
6-Methylbenzo[d]thiazol-2-amine
Authors: Saeed Aamer , Rafique Hummera , Bolte Michael
Published: November 2007

The title compound, C8H8N2S, crystallizes with two almost identical molecules in the asymmetric unit. In the crystal structure, it is remarkable that only three of the four amino H atoms form classical hydrogen bonds. The fourth H atom is involved in an N—H...π interaction.
(R)-Phenylethylammonium (R)-4-chloromandelate
Authors: He Quan , Jennings Michael C. , Rohani Sohrab , Zhu Jesse , Gomaa Hassan
Published: November 2007

Optical resolution of a racemic mixture of (±)-4-chloromandelic acid (4-ClMA) was obtained using (R)-phenylethylamine (R-PEA) as a resolving agent. A pair of diastereomeric salts (R-4-ClMA·R-PEA and S-4-ClMA·R-PEA) had significantly different solubilities and allowed optically pure crystals of the title complex, (R)-phenylethylammonium (R)-2-(4-chlorophenyl)-2-hydroxyacetate, C8H12N+·C8H6ClO3
− or [(R)-C6H5C(H)CH3NH3][(R)-4-ClC6H4C(H)(OH)CO2], to be isolated. The crystal structure of the enantiomeric S,S analogue has been published previously [Kinbara, Tagawa & Saigo (2001). Tetrahedron Asymmetry, 12, 2927–2930]. In the title crystal structure, a two-dimensional network, perpendicular to the c axis, is formed via intermolecular hydrogen bonds.
2-(1H-Benzotriazol-1-yl)-1-(4-fluorobenzoyl)ethyl 2,4-dichlorobenzoate
Authors: Bi Sai , Li Jing , Zeng Wu-Lan , Wan Jun
Published: November 2007

In the title compound, C22H14Cl2FN3O3, the two molecules in the asymmetric unit are linked into infinite chains along the a axis by intermolecular C—H...N and C—H...Cl hydrogen bonds.
N-[2-(Aminocarbonyl)phenyl]-4-hydroxy-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide dimethyl sulfoxide solvate
Authors: Zia-ur-Rehman Muhammad , Choudary Jamil Anwar , Elsegood Mark R. J. , Siddiqui Hamid Latif , Weaver George W.
Published: November 2007

The title compound, C16H13N3O5S·C2H6OS, is of interest as a precursor to biologically active (benzothiazin-3-yl)quinazolinones and its structure is reported here as the dimethyl sulfoxide (DMSO) solvate. The structure displays intramolecular N—H...O and O—H...O hydrogen bonding, giving rise to six-membered hydrogen-bonded rings, with head-to-tail intermolecular pairs of N—H...O hydrogen bonds linking pairs of neighbouring molecules and two independent N—H...O=S intermolecular hydrogen bonds to the DMSO molecule resulting in the pairs of molecules being linked into stepped chains parallel to a.
Hydrogen bis(tetraphenylimidodiphospinic acid) triiodide
Authors: Copolovici Lucian , Varga Richard A. , Lippolis Vito , Silvestru Cristian
Published: November 2007

In the crystal structure of the title compound, [(C24H21NO2P2)2H]+·I3
−, the triiodide anion is linear, sitting across a centre of symmetry, with I—I distances of 2.9130 (6) Å. The [H{(OPPh2)2NH}2]+ cation is formed by two symmetry-related molecules of tetraphenylimidodiphosphinic acid, (OPPh2)2NH, exbiting for the O—P—N—P—O skeleton an anti conformation [code (−,+)/(+,−)] with an angular P—N—P fragment. The charge is determined by a single proton shared by these two molecules, disordered across a centre of symmetry and forming an O—H...O hydrogen bond.
(3aS,5aR,6R,8aR)-3a-Hydroxy-5a-methyl-6-[(1R,2E,4R)-1,4,5-trimethyl-2-hexen-1-yl]-3a,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[e]benzofuran-2-one
Authors: Wang Wen-liang , Tao Hong-wen , Sun Wei , Gu Qian-Qun , Zhu Wei-Ming
Published: November 2007

The title compound, C21H32O3, also known as dimethylincisterol A3, was isolated from halotolerant fungus THW-18. It is composed of three fused rings and a side chain. In the crystal structure, the molecules interact with each other via O—H...O hydrogen bonds, resulting in an extended chain along the b axis. The absolute configuration was assigned from the measured optical rotation and reference to the literature.
catena-Poly[[[aquacopper(II)]-μ-2-(hydroxyphosphonato)acetato] dihydrate]
Authors: Li Jing , Dong Dapeng , Zhu Yanyu , Sun Zhengang , Chen Hui
Published: November 2007

The title compound, [Cu{HO3PCH(OH)CO2}(H2O)]·2H2O, was prepared by a hydrothermal reaction. The distorted square-pyramidal coordination geometry of copper(II) is built up of one phosphonate O atom, one hydroxy O atom, two carboxylate O atoms and one water molecule. In the crystal structure, a number of O—H...O hydrogen bonds involving the hydroxy groups, carboxylate O atoms, phosphonate O atoms, and uncoordinated and coordinated water molecules are found.
Tegaserod maleate
Authors: Cheng Qingfang , Xu Xingyou , Liu Tianya , Zhang Cheng
Published: November 2007

The title compound, [(5-methoxyindol-3-yl)methylenehydrazino](pentylamino)methaniminium maleate, C16H24N5O+·C4H3O4
−, was synthesized by the reaction of tegaserod and maleic acid in anhydrous ethanol. In the tegaserod cation, the guanidyl group is protonated. A number of intermolecular N—H...O hydrogen bonds stabilize the crystal packing.
2-[1-(3-Aminophenyl)ethylidene]propanedinitrile
Authors: Cheng Qingfang , Xu Xingyou , Zong Changyong , Feng Huiling
Published: November 2007

In the title compound, C11H9N3, all bond lengths and angles are normal. The crystal packing is stabilized by intermolecular N—H...N hydrogen-bond interactions involving the H atoms of the amino groups and N atoms of the cyano groups.
2-(2-Ethoxyphenyl)-1H-benzimidazole monohydrate
Authors: Navarrete-Vázquez Gabriel , Moreno-Diaz Hermenegilda , Estrada-Soto Samuel , Tlahuext Hugo
Published: November 2007

In the title compound, C15H14N2O·H2O, the dihedral angle between the benzimidazole ring system and the benzene ring is 6.74 (18)°. The water molecule takes part in the hydrogen-bonding network (N...H—O—H...N), connecting neighboring benzimidazole molecules. The packing is further stabilized by a π–π interaction between two adjacent benzimidazole ring systems, with a distance between the centroids of the benzene rings of 3.8315 (12) Å.
Poly[aqua(2,2′-bipyridine)(μ3-pyridine-2,4-dicarboxylato)palladium(II)]
Authors: Li Zhongfang , Wang Suwen , Zhang Qian , Yu Xianjin
Published: November 2007

The asymmetric unit of the title compound, {[Pd(C7H3NO4)(C10H8N2)]·H2O}
n
, contains one palladium cation chelated by one 2,2′-bipyridine ligand and one pyridine-2,4-dicarboxylate ligand, further coordinated by two carboxylate O atoms belonging to two neighbouring independent pyridine-2,4-dicarboxylate ligands. The Pd atom exhibits octahedral geometry involving three N and three O atoms. Each pair of neighbouring Pd2+ cations is bridged by two independent pyridine-2,4-dicarboxylate ligands, which are further coordinated to a third Pd2+ cation via a carboxylate O atom to form corrugated layers parallel to the (101) plane.
Hydrogen-bond thio acceptors in O-methyl 3,4-dimethylpyrrole-2-thiocarboxylate
Authors: Kerscher Tobias , Klüfers Peter , Kügel Wolfgang
Published: November 2007

Molecules of the title compound, C8H11NOS, are flat and almost C
s-symmetric. Bond lengths and angles resemble calculated values at the B3LYP/6-311+G(2 d,p) level of theory. The solid is characterized by van der Waals bonding and π stacking (stacking distance = 3.352 Å) of the basic motif of the structure: planar centrosymmetric dimers that are bonded by pairs of symmetry-equivalent N—H...S bonds. The dimer structure is rationalized by the nature of the hydrogen-bond acceptor orbital, the S(3p) orbital located in the molecular plane. The double-donor–double-acceptor situation in the dimer results in an unusual C=S...H angle of about 127° which is large compared with isolated C=S...H bonds (circa 100°), but small compared with the almost linear acceptor geometry in related oxo compounds.
(6-Acetoxy-2-acetylphenyl-κ2
C
1,O
1)tetracarbonylmanganese(I)
Authors: Fester Victor D. , Main Lyndsay , Nicholson Brian K.
Published: November 2007

The title compound, [Mn(C10H9O3)(CO)4], is formed by orthomanganation of 3′-acetoxyacetophenone at the sterically crowded ortho site. The atoms of the benzene and the cyclometallated rings are coplanar to within <0.018 Å, and there are no significant intramolecular interactions between the Mn(CO)4 group and the adjacent acetoxy group.
N′-[1-(2,4-Difluorophenyl)ethylidene]-4-methylbenzenesulfonohydrazide
Authors: Shang Zhen-Hua
Published: November 2007

The title compound, C15H14F2N2O2S, was synthesized by the reaction of 1-(2,4-difluorophenyl)ethanone and 4-methylbenzenesulfonohydrazide in ethanol under reflux. The crystal structure is stabilized mainly through intermolecular N—H...O hydrogen bonds. The C=N—N group displays a trans conformation.
(μ-3,4:9,10:17,18:23,24-Tetrabenzo-1,12,15,26-tetraaza-5,8,19,22-tetraoxacyclooctacosane-κ4
N
1,N
26:N
12,N
15)bis[aquadichloridocopper(II)]
Authors: Jia Zhi-Fang , Ma Jian-Fang , Zhang Lai-Ping , Han Ting-Ting
Published: November 2007

In the title compound, [Cu2Cl4(C36H44N4O4)(H2O)2], the dinuclear complex molecule lies on an inversion centre. Each CuII atom shows a tetragonal–pyramidal coordination geometry formed by two Cl atoms, two N atoms from the macrocyclic ligand and one water molecule. The coordinated water molecules are hydrogen-bonded to the Cl atoms in adjacent molecules, generating a one-dimensional structure.
(±)-Di-μ-chlorido-(μ-N,N′-{[3,3′-methylenebis(2,4,6-trimethyl-3,1-phenylene)]dimethylene}bis(2-methylpropan-2-amine))bis[chloridopalladium(II)]
Authors: Chahen Ludovic , Therrien Bruno , Süss-Fink Georg
Published: November 2007

In the title dinuclear palladium complex, [Pd2Cl4(C29H46N2)], the terminal ligands adopt an anti configuration, with an intramolecular metal–metal distance of 3.3625 (5) Å. The dinuclear palladium complex adopts a V-shaped conformation, with a dihedral angle of 152.67 (3)° between the two chloride-bridged PdNCl3 square-planar systems. The benzene rings in the chelating amine ligand are at an angle of 74.9 (1)° with respect to each other. The complex is the first example of chloride-bridged dinuclear palladium complex with a bidentate secondary amine ligand.
N-Ferrocenylmethyl-2-(3-methylstyryl)-N′-methylbenzimidazolium hexafluorophosphate
Authors: Gallagher John F. , Hanlon Keith , Howarth Joshua
Published: November 2007

In the title compound, [Fe(C5H5)(C23H22N2)]PF6, the F atoms of the [PF6]− anion are disordered over four different orientations with equal occupancies. In the cation, the five-membered imidazolium ring forms dihedral angles of 71.48 (10) and 19.83 (10)° with the substituted C5H4 ring and the benzene ring of the styryl group, respectively. In the crystal structure, there is a significant C—H...π(η5-C5H4) interaction.
4-Acetylresorcinol
Authors: Robert Kirgan , Moore Curtis , Eichhorn David , Rillema D. Paul
Published: November 2007

The molecule of the title compound [1-(2,4-dihydroxyphenyl)ethanone], C8H8O3, is planar except for the methyl H atoms. One intramolecular O—H...O hydrogen bond and a second intermolecular O—H...O interaction link the molecules into chains as seen down the 010 face. The distance between the sheets is 3.049 Å at its closest and 3.262 Å at its farthest.
meso-2-Methyl-5-[2-(4-methylfuran-2-yl)-1,2-bis(prop-2-ynyloxy)ethyl]furan
Authors: Frey Wolfgang , Wölfle Michael , Hashmi A. Stephen K.
Published: November 2007

The title compound, C18H18O4, crystallizes with half a molecule in the asymmetric unit. The molecule is centrosymmetric and the inversion centre is located in the middle of the furylic C—C bond. The furan rings show an exactly parallel orientation and the alkynyl groups have a parallel orientation with respect to the furan ring systems. Intermolecular C—H...O hydrogen bonds are present in the crystal structure.
Refinement of the layered titanosilicate AM-1 from single-crystal X-ray diffraction data
Authors: Ferdov Stanislav , Kolitsch Uwe , Lengauer Christian , Tillmanns Ekkehart , Lin Zhi , Sá Ferreira Rute A.
Published: November 2007

The structure of the layered noncentrosymmetric titanosilicate AM-1 (also known as JDF-L1, disodium titanium tetrasilicate dihydrate), Na4Ti2Si8O22·4H2O, grown as small single crystals without the use of organics, has been refined from single-crystal X-ray diffraction data. The H atom has been located for the first time, and the hydrogen-bonding scheme is also characterized by IR and Raman spectroscopy. All atoms are in general positions except for the Na, the Ti, one Ti-bound O, one Si-bound O and the water O atoms (site symmetries 2, 4, 4, 2 and 2, respectively).
{Bis[2-(3,5-dimethylpyrazol-1-yl)ethyl]amine-κ2
N,N′}dichloridozinc(II) methanol solvate
Authors: Lee Rae Eun , Park Yeon Do , Jeong Jong Hwa
Published: November 2007

In the title compound, [ZnCl2(C14H23N5)]·CH3OH, the Zn atom is coordinated by two N atoms and two Cl atoms in an approximately tetrahedral arrangement. The dihedral angle between the N—Zn—N and Cl—Zn—Cl planes is 89.69 (5)°. The methanol solvent molecule takes part in the formation of the hydrogen-bond system.
1-Bromo-4-nitro-2-(trifluoromethyl)benzene
Authors: Shang Zhenhua , Yu Yifeng
Published: November 2007

The title compound, C7H3BrNO2, was synthesized by the nitration of 1-bromo-2-(trifluoromethyl)benzene. In the crystal structure, there are three independent molecules, one of which lies on a crystallographic mirror plane.
Diaquatetrakis(1,3-di-4-pyridylpropane-κN)manganese(II) bis(hexafluoridophosphate) monohydrate
Authors: Zheng Xianfu , Niu Caoyuan , Wan Xinsheng , Kou Chunhong
Published: November 2007

The title mononuclear MnII complex, [Mn(C13H14N2)4(H2O)2](PF6)2·H2O, is isostructural with the previously reported ZnII complex. The metal center is coordinated by four monodentate 1,3-di-4-pyridylpropane (L1) ligands and two water molecules. One L1 ligand is affected by disorder of two propane C atoms, which are distributed over two positions, with occupancies 0.771 (8)/0.229 (8). The asymmetric unit is completed by one solvent water molecule and two PF6
− anions, both disordered over two positions, with occupancies for F atoms of 0.621 (10)/0.379 (10) for one anion and 0.69 (2)/0.31 (2) for the other. Uncoordinated N atoms of pyridyl groups belonging to L1 and water molecules are involved in hydrogen bonds, with D...A separations ranging from 1.85 (4) to 2.07 (4) Å and D—H...A angles from 169 (3) to 174 (4)°.
(2E)-3-(2-Bromo-5-methoxyphenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Authors: Butcher Ray J. , Jasinski Jerry P. , Yathirajan H. S. , Narayana B. , Mayekar Anil N.
Published: November 2007

In the title molecule, C16H11BrCl2O2, the angle between the mean planes of the 2,4-dichlorophenyl and 2-bromophenyl groups is 45.3 (5)°. The 5-methoxy group, with a torsion angle of 175.4 (4)°, is twisted slightly away from the plane of the 2-bromophenyl ring in an antiperiplanar conformation. The ketone oxygen of the prop-2-en-1-one group is twisted in a synclinal arrangement with respect to the 2,4-dichlorophenyl group, with a torsion angle of 54.1 (5)°. Molecules pack in a chain-like fashion, in an alternate inverted pattern parallel to the bc face of the unit cell, along the c axis.
1,1′-Bis(diphenylphosphino)cobaltocenium tetrafluoridoborate
Authors: Hou Jian-Guo , Zhang Pu , Ye Chen , Yu Tie-Gang
Published: November 2007

The title compound, [Co(C17H14P)2]BF4, was obtained by the anion exchange of 1,1′-bis(diphenylphosphino)cobaltocenium chloride with sodium tetrafluoroborate. Both the cation and anion lie on crystallographic twofold axes which run through the CoIII ion, and both the B atom and one F atom of the anion, respectively. Three of the F atoms of the BF4
− anion are disordered equally over two sites. The two diphenylphosphine ligands are trans to each other with respect to the CoIII ion. The crystal structure contains weak C—H...F interactions.
X-ray powder study of cis-dichloridobis(methylamine)platinum(II)
Authors: Kirik Sergei D. , Starkov Aleksandr K.
Published: November 2007

The title compound, cis-[PtCl2(CH3NH2)2], was obtained from the reaction of K2PtCl4 with CH3NH2·HCl and CH3COOK. The single-crystal structure has been reported previously [Wimmer, Wimmer, Jaud, Johnson & Castan (1988). Inorg. Chim. Acta, 144, 25–30], but no three-dimensional coordinates are available. We have carried out an ab initio crystal structure determination using X-ray powder diffraction techniques. The crystal structure consists of discrete molecules, with the PtII atom in a slightly distorted square-planar coordination environment. The methyl groups lie on the same side of the plane defined by the two N and two Cl atoms. Molecules are connected via intermolecular N—H...Cl hydrogen bonds to form two-dimensional layers perpendicular to the b axis. The methylamine groups protrude from these layers, forming organic interlayers.
(KF)4·4GaMe3
Authors: Krautscheid Harald , Kluge Oliver
Published: November 2007

In the structure of tetrakis(potassium fluoridotrimethylgallium), or tetra-μ4-fluorido-dodecamethyltetrapotassiumtetragallium, (KF)4·4Ga(CH3)3 or [K4Ga4(CH3)12F4], the F atoms of the K4F4 cube coordinate to the Ga(CH3)3 groups. The crystallographic site symmetry of the tetramer is 23 (T).
trans-1,4-Diphenyl-1,4-diphosphacyclohexane
Authors: Williams Michael L. , Dunstan Samuel P. C. , Healy Peter C.
Published: November 2007

The molecule of the title compound, C16H18P2, which was prepared by the reaction of dichloroethane with lithiated bis(diphenylphosphino)ethane, is disposed about a centre of symmetry. The 1,4-diphosphacyclohexane ring adopts a chair conformation with axial phenyl groups. The planes of the phenyl rings are orthogonal to the P...P axis.
N,N,N′,N′-Tetraethylnaphthalene-1,4-dicarboxamide
Authors: Jing Lin-Hai , Zhou Li-Mei , Qin Da-Bin
Published: November 2007

In the title compound, C20H26N2O2, all bond lengths and angles are normal. The two amide groups are twisted away from the naphthalene mean plane by 86.29 (4) and 84.06 (4)°, respectively. Intermolecular C—H...π interactions contribute to the crystal packing stability. One ethyl group is disordered equally over two sites.
N-Butanoyl-N′-(3,4-dichlorophenyl)thiourea
Authors: Yusof M. Sukeri M. , Saadum Zati Iwani M. , Yamin Bohari M.
Published: November 2007

The molecule in the title compound, C11H12Cl2N2OS, adopts a trans–cis configuration of the butanoyl and 3,4-dichlorophenyl groups with respect to the thiono S atom across the thiourea C—N bonds. In the crystal structure, molecules are linked into a two-dimensional network by N—H...S and C—H...O interactions.
N-(2-Iodophenylmethyl)hexamethylenetetraminium bromide dihydrate
Authors: Betz Richard , Klüfers Peter
Published: November 2007

The title compound, C13H18IN4
+·Br−·2H2O, is a quaternary ammonium salt derived from 2-iodobenzyl bromide and hexamethylenetetramine. Two water molecules per asymmetric unit act as hydrogen-bond donors to the bromide anion. Direct cation–anion contacts are established via C—H donors, mainly from methylene groups in the α position to the ammonium centre.
[N-(5-Chloro-2-oxidobenzylidene)-L-valinato-κ3
O,N,O′]diphenyltin(IV)
Authors: Dong Yan
Published: November 2007

The Sn atom of the title compound, [Sn(C6H5)2(C12H12ClNO3)], is in a distorted SnNC2O2 trigonal–bipyramidal geometry and forms five- and six-membered chelate rings with the tridentate ligand. One phenyl group is disordered over two positions with occupancy factors 0.58 (3):0.42 (3).
(Z)-2-[2-(Cyanoimino)-1,3-thiazolidin-1-yl]-1,3-diphenylprop-2-en-1-one
Authors: Dai Hong , Zhang Xin , Qin Xue , Qin Zheng-Fang , Fang Jian-Xin
Published: November 2007

In the title compound, C19H15N3OS, the 2-(cyanoimino)thiazolidine unit is approximately planar and makes dihedral angles of 63.74 (13) and 68.56 (15)° with the plane of the benzoyl C atoms and the benzylidene phenyl ring, respectively. In the crystal structure, a weak intermolecular C—H...O interaction is observed.
3-Amino-6-chloropyridazinium chloride
Authors: Hu Miao-Miao , Lv Lu-Ping , Chen Zhen-Hua , Zhou Lin , Hu Xian-Chao
Published: November 2007

In the title compound, C4H5ClN3
+·Cl−, the cation is effectively planar and is protonated at the N atom adjacent to the amino group. Four different N—H...Cl hydrogen bonds serve to connect the constituent ions into supramolecular double chains running parallel to the b axis.
trans-1,2-Diferrocenyl-1,2-difluoroethene
Authors: Nagahora Noriyoshi , Yuasa Akihiro , Sasamori Takahiro , Tokitoh Norihiro
Published: November 2007

In the title compound, [Fe2(C5H5)2(C6H4F)2], the two fluoro and ferrocenyl groups are oriented in a trans arrangement as a result of crystallographic inversion symmetry. The C—F and C—C distances of the ethene framework are 1.365 (3) and 1.331 (5) Å, respectively.
1,1′-Biphenyl-4,4′-diammonium bis(2-nitrobenzoate) dihydrate
Authors: Wei Lin-heng
Published: November 2007

In the title hydrated molecular salt, C12H14N2
+·2C7H4NO4
−·2H2O, the complete cation is generated by a crystallographic twofold axis running perpendicular to the central C—C bond. The components give rise to an infinite three-dimensional framework via intermolecular N—H...O and O—H...O hydrogen bonds.
N-(4-Bromobenzylidene)-4-ethoxyaniline
Authors: Ma Rui , Ma Rongming , Hou Yubang , Yong Xuejian , Bao Feng
Published: November 2007

In the title compound, C15H14BrNO, there are two molecules in the asymmetric unit with different conformations, as illustrated by the dihedral angles between the aromatic ring planes of 17.4 (5) and 9.7 (5)°.
Aquabis(but-2-enoato-κO)(di-2-pyridylamine-κ2
N,N′)nickel(II)
Authors: Yu Jian , Zhang Ling
Published: November 2007

In the title complex, [Ni(C4H5O2)2(C10H9N3)(H2O)], the Ni atom adopts a square-pyramidal NiO3N2 geometry, with the water molecule at the apical position and N2O2 donors in the basal plane. A network of O—H...O and N—H...O hydrogen bonds helps to establish the packing.
trans-(2,2′-Bipyridine)dichlorido[methyl 1-(phenylhydrazono)-1-(phenylimino)acetato]ruthenium(II) dichloromethane solvate
Authors: Al-Noaimi Mousa , El-khateeb Mohammad , Görls Helmar
Published: November 2007

The title compound, [RuCl2(C15H13N3O2)(C10H8N2)]·CH2Cl2, has a pseudo-octahedral coordination environment made up of two trans chloride ligands and four N-donor atoms, two of which belong to the azoimine bidentate ligand and two to the bipyridyl molecule. The ester group is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.
catena-Poly[[[2-(2-pyridyl)-1H-benzimidazole]cobalt(II)]-μ-benzene-1,4-dicarboxylato]
Authors: Xia Chang-Kun , Wu Wen , Chen Qiu-Yun , Xie Ji-Min
Published: November 2007

In the title coordination polymer, [Co(C8H4O4)(C12H9N3)]
n
, the CoII atom exists in an octahedral coordination environment formed by four carboxylate O atoms from two benzene-1,4-dicarboxylate ligands, and two N atoms from the 2-(2-pyridyl)benzimidazole ligand. Bridging by the benzene-1,4-dicarboxylate ligand leads to a zigzag chain structure, and intermolecular N—H...O hydrogen bonds as well as π–π interactions between the pyridyl ring and the benzene ring of the 2-(2-pyridyl)benzimidazole ligand (centroid–centroid distances = 3.678 and 3.697 Å) link the chains into a three-dimensional framework.
catena-Poly[[bis(thiocyanato-κN)cobalt(II)]-μ-di-4-pyridylamine-κ2
N:N′]
Authors: Springsteen Caleb H. , LaDuca Robert L.
Published: November 2007

In the title compound, [Co(NCS)2(C10H9N3)], a CoII atom with tetrahedral coordination is bound by two N-donor thiocyanate anions and two N-donor atoms from two crystallographically distinct di-4-pyridylamine (dpa) ligands whose central NH units lie on twofold axes. The dpa ligands link the Co atoms into one-dimensional [Co(NCS)2(dpa)]
n
coordination polymer chains that propagate along the b-axis direction.
(±)-4,6-Dimethoxy-3-(trichloromethyl)isobenzofuran-1(3H)-one
Authors: Saeed Aamer , Flörke Ulrich
Published: November 2007

The structure of the title compound, C11H9Cl3O4, shows two crystallographically independent but geometrically essentially identical molecules per asymmetric unit. The methoxy groups lie in the plane of the aromatic system, the relevant C—O—C—C and C—O—C—C torsion angles being −173.7 (2) and 3.1 (3)°, and 174.7 (1) and 3.2 (3)° for the two molecules. Molecules are packed in sheets parallel to the (100) plane, with various intermolecular C—H...O and C—H...Cl contacts.
Disodium 5,5′-diamino-2,2′-ethylenedibenzenesulfonate tetrahydrate
Authors: Dufresne Stéphane , Gaultois Michael , Skene W. G.
Published: November 2007

In the title disodium salt, 2Na+·C14H12N2O6S2
2−·4H2O, the two aryl units of the centrosymmetric anion are coplanar. The E geometric isomer was exclusively found, while the mean plane of the unsaturated group is twisted by 10.1 (2)° from the mean plane described by the two aminobenzenes. Four water molecules cocrystallize and participate in intermolecular hydrogen bonding. The anions lie in parallel planes separated by 3.367 (16) Å and their symmetry-related benzene rings are separated by 3.84 (1) Å, leading to weak intermolecular π-stacking.
(2Z)-2-Bromo-3-[3,5-dibromo-4-(ethylamino)phenyl]-1-(2,4-dichlorophenyl)prop-2-en-1-one
Authors: Butcher Ray J. , Jasinski Jerry P. , Mayekar Anil N. , Narayana B. , Yathirajan H. S.
Published: November 2007

In the title compound, C17H12Br3Cl2NO, the mean planes of the 3,5-dibromo-4-phenyl and 2,4-dichlorophenyl groups make a dihedral angle of 72.4 (2)°. The dihedral angles between the 2-bromoprop-2-en-1-one group and the two phenyl ring groups (3,5-dibromo-4-phenyl and 2,4-dichlorophenyl) are 71.1 (1) and 10.9 (4)°, respectively. The crystal packing is stabilized by intermolecular N—H...O hydrogen-bond interactions between the ethylamino H atom and the propyl ketone O atom, with the 3,5-dibromo-4-phenyl rings linked in chains in an alternate inverted pattern parallel and oblique to the ac face and diagonally along the a axis of the unit cell. An intramolecular hydrogen bond between the ethyl amino H atom and the 5-Br atom from the 3,5-dibromo-4-phenyl group helps stabilize the molecular conformation.
2-{2-[3-(3,5-Dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-(2,6-dimethylphenyl)acetamide
Authors: Li Hai-Lin , Wang Hai-Bo , Yin Jun , Kang Si-Shun , Zeng Hai-Su
Published: November 2007

In the molecule of the title compound, C26H25N3O5, the dihedral angles between the oxadiazole ring and the adjacent benzene rings are 3.56 (12) and 5.72 (11)°. Intramolecular N—H...O and C—H...O hydrogen bonds result in the formation of four more five-membered planar rings, which are nearly coplanar with the adjacent rings.
Hexaaquacopper(II) bis(4-methylbenzenesulfonate)
Authors: Zhong H. , Yang X.-M. , Xie H.-L. , Luo C.-J.
Published: November 2007

The asymmetric unit of the title compound, [Cu(H2O)6](C7H7O3S)2, contains one half-cation and one anion; the Cu atom lies on an inversion centre. In the crystal structure, intermolecular O—H...O and O—H...S hydrogen bonds result in the formation of a supramolecular network structure; an intramolecular C—H...O hydrogen bond is also present.
2-(3,5-Dimethylbenzene)-1-ferrocenylmethyl-1H-1,3-benzimidazole
Authors: Gallagher John F. , Hanlon Keith , Howarth Joshua
Published: November 2007

In the title molecule, [Fe(C5H5)(C21H19N2)], the five-membered imidazole ring forms dihedral angles of 88.61 (8) and 42.15 (6)° with the substituted cyclopentadienyl and dimethyl-substituted benzene rings, respectively. In the crystal structure, there is an Nsp
2...H contact and a modest C—H...π(arene) interaction involving the benzene ring of the benzimidizole system.
3-(5-Chloro-2-hydroxyanilino)isobenzofuran-1(3H)-one
Authors: Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: November 2007

The crystal structure of the title compound, C14H10ClNO3, is stabilized by inversion-related O—H...O and C—H...O intermolecular hydrogen bonds and also by C—H...π and π–π interactions (centroid-to-centroid distance 3.681 Å and plane-to plane separation 3.618 Å). The O—H...O and C—H...O hydrogen bonds generate edge-fused R
2
1(6)R
4
4(27)R
2
1(6) ring motifs. The phthalide part of the molecule is planar and is inclined at 76.8 (2)° to the benzene ring of the aminophenyl group.
3-(6-Methyl-2-pyridylamino)isobenzofuran-1(3H)-one
Authors: Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: November 2007

The crystal structure of the title compound, C14H12N2O2, is stabilized by intermolecular N—H...O and C—H...N hydrogen bonds and also by C—H...π and π–π [centroid–centroid distance 3.822 (1) Å and a plane-to-plane separation 3.697 Å] interactions. The N—H...O and C—H...N hydrogen bonds generate edge-fused R
2
1(6)R
4
4(24)R
2
1(6) ring motifs. The phthalide group is planar and oriented with respect to the pyridine ring at a dihedral angle of 83.21 (9)°.
Tris(tribenzylammonium) hexachloridoplatinate(IV) chloride
Authors: Yousefi Mohammad , Teimouri Shabahang , Amani Vahid , Khavasi Hamid Reza
Published: November 2007

In the title compound, (C21H22N)3[PtCl6]Cl, the Pt atom has an octahedral coordination. Intermolecular N—H...Cl hydrogen bonds help to stabilize the structure. The angles between the phenyl rings in the three cations are 66.86 (4)/70.02 (4)/54.31 (3), 78.72 (5)/32.93 (4)/55.77 (4) and 71.76 (5)/79.32 (5)/59.50 (5)°.
Tetrakis(tert-butylammonium) benzene-1,2,4,5-tetracarboxylate octahydrate
Authors: Ejsmont Krzysztof , Zaleski Jacek
Published: November 2007

In the crystal structure of the title compound, 4C4H12N+·C10H2O8
4−·8H2O, there is a centre of symmetry at the centre of the benzene ring; the asymmetric unit comprises one half-anion, two cations and four water molecules. The pyromellitate tetraanion is nonplanar; it and the cations exhibit normal geometry. The two unique carboxylate groups are twisted out of the plane of the benzene ring by about 40 and 50°. The network formed by the ions and water molecules is based on eight O—H...O and six N—H...O strong hydrogen bonds.
Chlorido{1-[2-(methylsulfanyl)phenyldiazenyl]naphtholato-κ3
O,N,S}nickel(II)
Authors: Das Purak , Biswas Achintesh Narayan
Published: November 2007

The Ni atom in the title compound, [Ni(C17H19N2S)Cl], is tetracoordinated by a naphtholate O atom, a diazene N atom, a Cl atom and an S atom in an approximately square-planar geometry. The crystal packing is stabilized by one intermolecular C—H...Cl interaction and two intermolecular π–π interactions; the centroid-to-centroid distances are 3.745 (3) and 3.744 (3) Å, and the corresponding perpendicular distances are 3.528 and 3.541 Å, respectively.
N-(4-Methylbenzoyl)-N′-(4-methylphenyl)thiourea
Authors: Razis S. Aminah A. , Yusof M. Sukeri M. , Kadir A. Maisara , Yamin Bohari M.
Published: November 2007

The title compound, C16H16N2OS, adopts a trans–cis configuration of the 4-methylbenzoyl and 4-methylphenyl groups, with respect to the thiono S atom across the thiourea C—N bonds. The dihedral angle between the two groups is 10.36 (8)°. The structure is stabilized by intermolecular hydrogen bonds which form dimers. There are also intramolecular hydrogen bonds.
2,2′,2′′,2′′′-(3,6-Dioxaoctane-1,8-diyldinitrilo)tetrabenzimidazolium tetrakis(perchlorate) dihydrate
Authors: Zhou Chun-Shan , Pei Ya-Mei , Meng Xiang-Gao
Published: November 2007

In the title crystal structure, C38H44N10O2
4+·4ClO4
−·2H2O, components are linked into a two-dimensional framework by a combination of N—H...O, C—H...O, O—H...O and N—H...N hydrogen bonds. In addition, weak π–π stacking interactions and anion–π noncovalent interactions between perchlorate anions and heteroaromatic imidazole rings [O...Cg = 3.328 (10) and 3.386 (11) Å; Cg is the centroid of an imidazole ring] consolidate the crystal structure.
6-Bromo-N-methylnaphthalen-2-amine
Authors: Garon Christian N. , Milliard Alex , Fontaine Frédéric-Georges
Published: November 2007

In the structure of the title compound, C11H10BrN, all the atoms are coplanar, with the exception of two methyl H atoms, and the geometric parameters around the N atom are consistent with an sp
2-hybridized atom.
p-Cresyl cinnamate
Authors: Kaitner Branko , Stilinović Vladimir
Published: November 2007

In the crystal structure of the title compound [4-methylphenyl (E)-3-phenylpropenoate], C16H14O2, the benzene ring of the cinnamoyl group is slightly distorted due to conjugation with the double bond. The mean plane of the cinnamoyl group forms a dihedral angle of 61.1 (1)° with the plane of the cresyl group.
1,1′-Dibutyl-3,3′-biindolinylidene-2,2′-dione
Authors: Yuan Mao-Sen , Fang Qi , Ji Lei , Yu Wen-Tao
Published: November 2007

The title molecule, C24H26N2O2, has its central C=C double bond placed on an inversion centre, and both indolin-2-one units are coplanar. The three terminal C atoms of the two butyl groups are disordered over two positions; the site occupancy factors are ca. 0.54 and 0.46. The central C=C bond exhibits an E configuration and is conjugated with the indole heterocycles. This aromatic character is related to the planarity of the isoindigo core and is reminiscent of that observed in stilbene.
7,11,15,28-Tetrakis(bromomethyl)-1,21,23,25-tetrapentylresorcin[4]arene cavitand 0.415-hydrate
Authors: McKay Michael G. , Friedrich Holger B. , Maguire Glenn E. M.
Published: November 2007

The title compound {systematic name: 7,11,15,28-tetrakis(bromomethyl)-1,21,23,25-tetrapentyl-2,20:3,19-dimetheno-1H,21H,23H,25H-bis[1,3]dioxocino[5,4-i:5′,4′-i′]benzo[1,2-d:5,4-d′]bis[1,3]benzodioxocine 0.415-hydrate}, C56H68Br4O8·0.415H2O, has been previously synthesized and reported; however, its crystal structure has hitherto not been elucidated. The structure is the first reported example of a resorcin[4]arene cavitand bearing bromomethyl functional groups at the rim of the molecule. The inclusion of Br atoms makes the compound useful as a precursor to a number of synthetically more complex cavitand host molecules.. This is also true of the pentyl `feet' of the title compound. Two pentyl groups are disordered over two positions; the site occupancy factors are ca. 0.68 and 0.32.
Bis[1,3-bis(1H-benzimidazol-2-yl)benzene-κN
3]bis(nitrato-κ2
O,O′)cadmium(II) dihydrate
Authors: Meng Fa-Yan , Zhang Yi-Ming , Ng Seik Weng
Published: November 2007

In the title complex, [Cd(NO3)2(C20H14N4)2]·2H2O, the CdII ion, which lies on a crystallographic twofold axis, is bis-chelated by two nitrate ligands and is coordinated by one tertiary N atom from each of two 1,3-bis(1H-benzimidazol-2-ylmethyl)benzene ligands in a distorted octahedral geometry. In the crystal structure, complex molecules and solvent water molecules are connected via hydrogen bonds to form a three-dimensional network.
{3-Hydroxymethyl-1-[2-(3-methoxyphenyl)ethyl]-7-oxabicyclo[2.2.1]hept-5-en-2-yl}methanol
Authors: Wang Ya-Wen , Peng Yu
Published: November 2007

The title compound, C17H22O4, is an oxabicyclo[2.2.1]hept-5-ene with two exo-oriented hydroxymethyl groups which are not parallel to each other. The molecules are linked to each other by hydrogen bonds, resulting in a supramolecular network. Intermolecular O—H...O hydrogen bonding is observed between the hydroxyl groups.
2-Benzylidene-2,3-dihydro-1H-benzo[f]chromen-1-one
Authors: Marx A. , Manivannan V. , Suresh R. , Kanagam Charles Christopher , Büyükgüngör Orhan
Published: November 2007

The dihedral angles between the phenyl ring and the naphthalene part of the chromanone unit in the two independent molecules of the title compound, C20H14O2, are 56.17 (4) and 55.62 (7)°. The molecular structure is stabilized by weak intramolecular C—H...O interactions and the crystal packing is stabilized by weak C—H...π interactions.
3-Butyl-2-(piperidin-1-yl)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
Authors: Wang Hong-Mei , Zeng Xiao-Hua , Zheng Ai-Hua , Tian Jia-Hua , He Ting-Yun
Published: November 2007

In the title compound, C19H27N3OS, the central thienopyrimidine ring system is essentially planar. The cyclohexene ring adopts a half-chair conformation, while the piperidine ring is in a standard chair conformation. There is an intramolecular C—H...O hydrogen bond, which stabilizes the molecular structure. The crystal packing is stabilized by C—H...π interactions.
3-[(4-Nitrophenyl)aminocarbonyl]propanoic acid
Authors: Rath Nigam P. , Ravindra H. J. , Kumar M. R. Suresh , Dharmaprakash S. M.
Published: November 2007

The title compound, C10H10N2O5, crystallizes in the centrosymmetric space group P21/c. The carboxyl terminus end is almost perpendicular to the rest of the molecule [the dihedral angle between mean planes through the terminal COOH group, the adjacent C atom and rest of the molecule, except for the methylene H atoms, is 82.15 (18)°]. This molecule fails to show second-order nonlinear optical property due to the presence of inversion symmetry in the solid state. The crystal structure is stabilized by strong intermolecular O—H...·O and N—H...·O hydrogen bonding.
Poly[[(1,10-phenanthroline)cadmium(II)]-μ3-2-(4-carboxylatophenoxy)propionato]
Authors: Kong Li-Li , Gao Shan , Huo Li-Hua
Published: November 2007

In the title linear polymeric chain compound, [Cd(C10H8O5)(C12H8N2)]
n
, the CdII ion exists in a monocapped triangular–prismatic geometry that is defined by two N atoms from a 1,10-phenanthroline molecule and five O atoms from three 2-(4-carboxylatophenoxy)propionate ligands. Adjacent chains are cross-linked via π–π stacking interactions between the 1,10-phenanthroline rings [centroid–centroid distance = 3.5894 (6) Å].
Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ2
S,S′)nickel(II)
Authors: Hou Yong , Zuo Hongrong , Huang Qian , Ni Chunlin
Published: November 2007

The title compound, (C5H12N)2[Ni(C4N2S2)2], is a new [Ni(mnt)2]2− salt (mnt2− is 1,2-dicyanoethene-1,2-dithiolate) with piperidinium [(PIH)+] cations. The NiII ion lies on an inversion centre and the asymmetric unit contains a (PIH)+ cation and one half of the [Ni(mnt)2]2− anion. The NiII ion exhibits a square-planar coordination geometry. In the crystal structure, weak C—H...N, C—H...S and C—H...Ni hydrogen bonds are observed between the anions and the cations.
(S)-Benzyl 2-[N-(5-chloropyridin-2-yl)carbamoyl]pyrrolidine-1-carboxylate
Authors: He Long
Published: November 2007

In the title compound, C18H18ClN3O3, the pyrrolidine ring adopts an envelope conformation. The dihedral angle between the phenyl ring and the pyridine ring is 28.30 (7)°. The crystal packing is stabilized by N—H...O and C—H...O hydrogen bonding.
Diaqua[N,N′-(o-phenylene)bis(pyridine-2-carboxamidato)-κ
4
N]manganese(III) perchlorate
Authors: Zhang Li-Fang
Published: November 2007

In the MnIII complex of the title compound, [MnIII(C18H12N4O2)(H2O)2]ClO4, the MnIII atom is coordinated by four N atoms from the bpb2− [1,2-bis(pyridine-2-carboxamido)benzene] ligand located in the equatorial plane and two O atoms of water molecules at axial positions, yielding a distorted MnN4O2 octahedral coordination geometry. The bpb2− ligand is nearly planar, with a maximum deviation of 0.2311 (3) Å from the mean plane. The MnIII complex cation and the perchlorate anion, both of which are located on twofold rotation axes, are connected by O—H...O and C—H...O hydrogen bonds into a three-dimensional supramolecular network structure.
Bis[μ-bis(imidazol-1-yl)methane]bis[aqua(oxalato)copper(II)] dihydrate
Authors: Jin Shouwen , Wang Daqi
Published: November 2007

The title compound, [Cu2(C2O4)2(C7H8N4)2(H2O)2]·2H2O, features a centrosymmetric dinuclear complex. The CuII ion adopts a square-pyramidal geometry. It is coordinated by two N atoms from two bis(N-imidazolyl)methane molecules as bridging ligands, two O atoms from one oxalate anion in chelating mode and one water molecule. There are several O—H...O hydrogen bonds in the crystal structure.
N-(2,4-Dimethylphenyl)-2-nitrobenzenesulfonamide
Authors: Shi Fa-En
Published: November 2007

The molecular conformation of the title compound, C14H14N2O4S, is stabilized by an N—H...O hydrogen bond. The packing is influenced by π–π stacking interactions between nitrophenyl rings [centroid-to-centroid separation 3.744 (13) Å].