bluuebunny/crossref_metadata_2025 huggingface dataset:
Bis(methyl 2,4,6-tri-O-acetyl-β-D-allofuranosid-3-yl)sulfane
Authors: Cumpstey Ian , Eriksson Lars
Published: November 2007

The title compound, C26H38O16S, crystallizes with two unique half molecules in the asymmetric unit, where the central S atom in each of the unique molecules is positioned on a twofold rotation axis. The only major conformational difference between the two molecules concerns one of the acetyl groups. Except for that acetyl group, the atoms of the two different molecules, in an overlay of one molecule on the other, differ on average by only 0.06 (6) Å from each other.
3,3′-Dimethoxy-4,4′-(propane-1,3-diyldioxy)dibenzoic acid
Authors: Deng Rui-Xue , Liu Pu , Zhou Wei-Yi
Published: November 2007

In the title compound, C19H20O8, the two benzene rings are approximately perpendicular to each other [dihedral angle = 83.7 (3)°]. The methoxy and carboxyl groups do not deviate from the planes of the respective benzene rings. Intermolecular O—H...O hydrogen bonds stabilize the crystal structure.
2,4,6-Trichloro-1,3,5-trimethylborazine
Authors: Weinmann Markus , Nuss Jürgen , Jansen Martin
Published: November 2007

The title compound, (CH3NBCl)3 or C3H9B3Cl3N3, is the first crystallographically characterized trialkyltrichloroborazine derivative. It crystallizes with two independent molecules in the asymmetric unit. The B3N3 rings are essentially planar, with B—N distances ranging from 1.428 (5) to 1.449 (4) Å, and with B—N—B and N—B—N angles in the ranges 118.4 (3)–119.4 (3) and 120.7 (3)–121.8 (3)°, respectively. The two independent molecules are staggered parallel along [x, 0, 0] and [x, {1 \over 2}, {1 \over 2}], most probably due to the formation of weak intermolecular C—H...Cl hydrogen bonds.
(2,2′-Bipyridine-κ2
N,N′)dichlorido(dimethyl sulfoxide-κO)zinc(II)
Authors: Marjani Katayoun , Mousavi Mohsen , Khavasi Hamid Reza , Ansari Maryam , Qumi Hamid Reza
Published: November 2007

In the title compound, [ZnCl2(C10H8N2)(C2H6OS)], the Zn atom is five-coordinate, forming a distorted trigonal–bipyramidal geometry involving one Cl atom, one dimethyl sulfoxide O atom and one 2,2′-bipyridine N atom in equatorial positions, with distances Zn—Cl = 2.2863 (7) Å, Zn—O = 2.1024 (15) Å and Zn—N = 2.1546 (16) Å. The axial positions are occupied by the other 2,2′-bipyridine N atom and a Cl atom, with distances N—Zn = 2.1604 (16) Å and Zn—Cl = 2.3123 (7) Å.
N-(4-Methoxyphenyl)-N′-(4-methylbenzoyl)thiourea
Authors: Razis S. Aminah A. , Yusof M. Sukeri M. , Yamin Bohari M.
Published: November 2007

In the title compound, C16H16N2O2S, one of the C—N bonds adopts a transoid configuration, whereas the other C—N bond is cisoid configured. The molecular conformation is stabilized by an intramolecular N—H...O hydrogen bond, and the crystal packing is stabilized by intermolecular N—H...S and C—H...O hydrogen bonds, forming chains parallel to the a axis.
Ethyl 2-acetamidomethyl-5-methoxy-1-(phenylsulfonyl)indole-3-carboxylate
Authors: Sathya Moorthy Pon. , Balasubramanian M. , Dhayalan V. , Mohanakrishnan A. K. , Ponnuswamy M. N.
Published: November 2007

In the title compound, C21H22N2O6S, the dihedral angle between the sulfonyl-bound phenyl ring and the indole ring system is 79.4 (1)°. The crystal packing is controlled by intra- and intermolecular N—H...O, C—H...O and C—H...π interactions, in addition to van der Waals forces.
trans-Bis[5-(4-fluorophenyl)tetrazolato]bis(triphenylphosphine)platinum(II)
Authors: Mukhopadhyay Suman , Lasri Jamal , Guedes da Silva M. Fátima C. , Charmier M. Adília J. , Pombeiro Armando J. L.
Published: November 2007

The diazide platinum(II) complex, [Pt(N3)2(PPh3)2], reacts with 4-FC6H4CN under microwave irradiation to give the corresponding neutral title bis(tetrazolate) complex trans-[Pt(N4CR)2(PPh3)2] or [Pt(C7H4FN4)2(C18H15P)2]. The PtII atom lies on a crystallographic inversion centre and is coordinated by two N atoms and two P atoms in a slightly distorted square-planar environment. The unique tetrazolate ring is essentially planar and the corresponding C...;N and N...;N bond distances lie in the range 1.317 (3)–1.349 (3) Å.
catena-Poly[hexakis(μ2-anilinoacetamide)bis(1,10-phenanthroline)dipraseodymium(III)]
Authors: Liu T. , Zhu J. Y.
Published: November 2007

The title compound, [Pr2(C8H9N2O)6C12H8N2)2]
n
, is a polymeric complex based on a binuclear unit with an inversion centre mid-way between the two PrIII ions, which are bridged by two tridentate, two bidentate and four monodentate (within the binuclear unit) acetamide groups. Each Pr atom is nine-coordinated by two 1,10-phenanthroline N atoms and four O and three N atoms of anilinoacetamide ligands. In the crystal structure, C—H...O, C—H...N, N—H...N and N—H...O hydrogen bonds result in the formation of a supramolecular network structure; an N—H...O hydrogen bond is also present within one ligand.
(S)-1-Methyl-2-[1-(p-tolylsulfonyl)pyrrolidin-2-ylmethylsulfanyl]-1H-imidazole
Authors: Chen Pingsheng , Liu Xuefen , Luo Shuping , Xu Danqian
Published: November 2007

The title compound, C16H21N3O2S2, was synthesized from L-proline. The imidazole and toluene groups are positioned on opposite sides of the pyrrolidine ring. The absolute configuration of the chiral C atom is been determined as S. Weak C—H...O and C—H...π interactions stabilize the packing.
3-Aminopyridinium 2-hydroxy-2,2-diphenylacetate monohydrate
Authors: Li Jie
Published: November 2007

In the title compound, C5H7N2
+·C14H11O3
−·H2O, the component species are connected by N—H...O and O—H...O hydrogen bonds. An R
1
2(5) ring occurs.
(N-tert-Butylpyrazine-2-carboxamide-κN
4)chloridobis(dimethylglyoximato-κ2
N,N′)cobalt(III) hemihydrate
Authors: Martin S. , Revathi C. , Varghese Babu , Dayalan A.
Published: November 2007

The title compound, [Co(C4H7N2O2)2Cl(C9H13N3O)]·0.5H2O, viz. trans-[Co(dmgH)2Cl(t-BuPzAM)]·0.5H2O, has two molecules in the asymmetric unit with some differences in the conformation and positions of the H atoms with regard to the hydroxy groups of the glyoximate groups. The water molecule is disordered equally over two sites.
(E)-3-(2-Nitriminoimidazolidin-1-yl)-1-phenylpropan-1-one
Authors: Yu Haibo , Zhang Bingnan , Fang Jianxin
Published: November 2007

In the crystal structure of the title compound, C12H14N4O3, the dihedral angle between the phenyl and imidazole rings is 76.55 (7)°. The nitrite O atoms of the (E)-2-nitriminoimidazolidin-1-yl group act as the acceptors of three N—H...O hydrogen bonds from the N atom of the imidazole ring, resulting in a one-dimensional chain. C—H...O hydrogen-bonding interactions are also observed in this complex, extending the structure into a two-dimensional supramolecular sheet.
N-(7-Dimethoxymethyl-4-oxo-3,4-dihydropteridin-2-yl)-2,2-dimethylpropionamide monohydrate
Authors: Fun Hoong-Kun , Goswami Shyamaprosad , Maity Annada C. , Maity Sibaprasad , Chantrapromma Suchada
Published: November 2007

In the title compound, C14H19N5O4·H2O, the 3,4-dihydropteridine ring system deviates sigificantly from planarity, the dihedral angle between the mean planes of the two rings being 3.93 (9)°. Intramolecular N—H...O hydrogen bonding generates an S(6) ring motif. The water molecule forms O—H...O and O—H...N intramolecular hydrogen bonds with the substituted pteridine molecule. In the crystal structure, the substituted pteridine molecules are linked by N—H...N hydrogen bonds into chains running along the c direction. These chains are further connected to the water molecules by N—H...O, O—H...O and O—H...N hydrogen bonds to form two-dimensional networks parallel to the bc plane. The crystal structure is stabilized by intra- and intermolecular N—H...O, N—H...N, O—H...O and O—H...N hydrogen bonds, together with weak C—H...O and C—H...N intra- and intermolecular interactions. C—H...π interactions are also observed.
catena-Poly[[bis(1-ethyl-1H-imidazole)copper(II)]-μ-benzene-1,3-dicarboxylato]
Authors: Hong Jun
Published: November 2007

In the title compound, [Cu(C8H4O4)(C5H8N2)2]
n
, each CuII atom (site symmetry \overline{1}) is four-coordinated by two carboxylate O atoms from two different benzene-1,3-dicarboxylate ligands and two N atoms from two 1-ethyl-1H-imidazole ligands in a trans-CuN2O2 square-planar arrangement. Each benzene-1,3-dicarboxylate ligand, which possesses crystallographic twofold rotation symmetry, links two adjacent CuII atoms in a bis-monodentate mode, resulting in a chain with the 1-ethyl-1H-imidazole ligands attached on both sides.
(5,16-Dimethyl-2,6,13,17-tetraazatricyclo[14.4.01,18.07,12]docosane-κ4
N)bis(perchlorato-κO)copper(II)
Authors: Choi Jong-Ha , Ryoo Keon Sang , Park Ki-Min
Published: November 2007

In the title compound, [Cu(ClO4)2(C20H40N4)], the CuII ion has a tetragonally distorted octahedral environment, with the four N atoms of the macrocyclic ligand in equatorial positions and the O atoms of two perchlorate groups in axial positions. The CuII ion is situated on an inversion centre. The macrocyclic ligand adopts its most stable trans-III conformation. The long axial Cu—O bond is the result of the Jahn–Teller effect. The crystal structure is stabilized by intramolecular hydrogen bonds between secondary N—H and the O atoms of the perchlorate groups.
(2,2-Dimethyl-α,α,α′,α′-tetraphenyl-1,3-dioxolane-4,5-dimethanolato-κ2
O
4,O
5)ethyl(tetrahydrofuran-κO)aluminium(III)
Authors: Chen Chien-An , Wu Kuo-Hui , Gau Han-Mou
Published: November 2007

The title compound, [Al(C2H5)(C31H28O4)(C4H8O)], has a slightly distorted tetrahedral geometry around the AlIII metal centre. The bidentate TADDOLate ligand and the AlIII metal atom form a seven-membered ring, with an O—Al—O angle of 111.19 (10)°, which is close to the ideal tetrahedral angle. The Al—O—C(alkoxide) angles of 139.17 (17) and 137.95 (17)° are larger than the sp
3 bond angle, suggesting substantial π-donation of the alkoxide O atom to the AlIII metal centre.
(2-Amino-3,5-dimethylbenzenesulfonato-κN)bis(triphenylphosphine-κP)silver(I) acetonitrile solvate
Authors: Han Jia-Jun , Li Ning
Published: November 2007

The title compound, [Ag(C8H10NO3S)(C18H15P)2]·CH3CN, has a mononuclear structure, where the AgI cation is three-coordinated by two triphenylphosphine ligands and one N atom from the 2-amino-3,5-dimethylbenzenesulfonate anion in a distorted trigonal-planar AgP2N arrangement. A network of N—H...O hydrogen bonds helps to consolidate the packing.
12-(4-Methoxyphenyl)-9,10-dihydrobenzo[b][4,7]phenanthrolin-11(7H,8H,12H)-one
Authors: Zhang Xiaojing , Zhou Dianxiang , Tu Shujiang , Shao Qingqing , Li Chunmei
Published: November 2007

In the molecule of the title compound, C23H20N2O2, the dihydropyridine ring has a boat conformation, while the cyclohexene ring adopts an envelope conformation. In the crystal structure there are intermolecular N—H...O hydrogen bonds.
3,3′-Dimethoxy-2,2′-[o-phenylenebis(nitrilomethylidyne)]diphenol
Authors: Habibi Mohammad Hossein , Montazerozohori Morteza , Mokhtari Reza , Harrington Ross W. , Clegg William
Published: November 2007

The title Schiff base compound, C19H20N2O4, was synthesized by the reaction of o-phenylenediamine with 6-methoxysalicylaldehyde. The central benzene ring makes dihedral angles of 2.78 (5) and 73.98 (5)° with the two terminal phenol rings. Each methoxy group is coplanar with the attached phenol ring. The crystal structure is stabilized by intramolecular O—H...N and intermolecular C—H...O hydrogen bonds.
[N,N′-(o-Phenylene)dipicolinamide-κ4
N]nickel(II)
Authors: Liu Yin-Qiu , Zeng Xi-Rui
Published: November 2007

The title compound, [Ni(C18H12N4O2)], which was synthesized by reaction of N-[2-(picolinamido)phenyl]picolinamide with Ni(NO3)2·6H2O in ethanol, is a mononuclear complex in which the nickel(II) ion is coordinated by four N atoms and displays a distorted square-planar coordination geometry.
N-Phenyl-2-(phenyliminomethyl)pyrrole-1-carboxamide
Authors: Imhof Wolfgang
Published: November 2007

The title compound, C18H15N3O, was prepared from phenyl(1H-pyrrol-2-ylmethylene)amine and phenyl isocyanate in the presence of catalytic amounts of [Pd(PPh3)4]. The conformation of the molecular structure is determined by an intramolecular hydrogen bond between the amide NH function and the imine N atom. The molecule is essentially planar. Only the peripheral phenyl substitutents are bent out of the plane.
1-(4-Chlorophenyl)-8-(4-fluorophenyl)-4-[(E)-(4-fluorophenyl)methylidene]-6-methyl-4,5,6,7,7a,8-hexahydro-1,2,4-oxadiazolo[5,4-d]pyrido[3,4-c][1,5]benzothiazepine
Authors: Srinivasan N. , Sribala R. , Ranjith Kumar R. , Perumal S. , Krishnakumar R. V.
Published: November 2007

In the title compound, C33H26ClF2N3OS, the oxadiazole, piperidine and benzothiazepine rings adopt envelope, chair and twist-boat conformations, respectively. The molecular aggregation in the crystal is characterized by linear chains of centrosymmetrically related pairs of molecules connected through C—H...F and C—H...N hydrogen bonds.
catena-Poly[[tetra-μ-anilinoacetato-bis(1,10-phenanthroline)dineodymium(III)]-di-μ-anilinoacetato]
Authors: Zhong H. , Yang X.-M. , Xie H.-L. , Luo C.-J.
Published: November 2007

In the crystal structure of the title compound, [Nd2(C8H8NO2)6(C12H8N2)2]
n
, the NdIII atoms are bridged by two tridentate, two bidentate and four mondentate carboxylate groups with an inversion centre between the two NdIII ions. Each Nd atom is nine-coordinated by two 1,10-phenanthroline N atoms and seven O atoms of four anilinoacetate ligands. In the crystal structure, the chains are linked by hydrogen bonds into a polymeric ribbon structure.
(N-Phenylimino)bis[phosphonic bis(diphenylamide)]
Authors: Chartrand Daniel , Hanan Garry S.
Published: November 2007

The title compound, NC6H5[PO(NHC6H5)2]2 or C30H29N5O2P2, was obtained as a side product during the addition of aniline to an amidoyl chloride, using PCl5 as chlorinating agent. The title compound was first synthesized by Murray & Woodward [(1989). Phosphorus Sulfur Silicon, 41, 399–403], again as a by-product, but no crystallographic evidence was given. The title compound crystallizes as two crystallographically unique molecules that form layers in the ab plane through O...H—N hydrogen-bond interactions, with an O...N minimum distance of 2.769 (2)Å and a maximum distance of 3.117 (2) Å. There is also one intramolecular O...H—N bond present in each of the two molecules, with an average O...N distance of 2.959 (4) Å.
Ce3Mg0.5GeS7 from single-crystal data
Authors: Gulay L. D. , Daszkiewicz M. , Huch M. R. , Pietraszko A.
Published: November 2007

Single crystals of tricerium hemimagnesium germanium heptasulfide were obtained by sintering a Ce2S3–MgS–GeS2 mixture. The compound crystallizes in the space group P63 and is isotypic with other Ln3
T
0.5
XS7 phases (Ln = lanthanide, T = divalent transition metal, and X = Si or Ge). The slightly distorted trigonal [MgS6] antiprism has 3 symmetry, with the Mg position half-occupied. The latter position correlates well with the disordered Ag2 positions in the Ln3Ag1−δSnS7 (Ln = La, Ce; δ = 0.18–0.19) and Ln3Ag1−δSiS7 (Ln = La–Nd, Sm; δ = 0.10–0.23) structures. The present single-crystal study confirms the previous refinement from powder data, but with all displacement parameters refined anisotropically.
Bis(O,O′-diisopropyl dithiophosphato-κ2
S,S′)(1,10-phenanthroline)nickel(II)
Authors: Berdugo Erick , Tiekink Edward R. T.
Published: November 2007

The Ni atom in the monomeric title compound, [Ni(C6H14O2PS2)2(C12H8N2)], is within a distorted octahedral N2S4 geometry, defined by two chelating dithiophosphate ligands and a chelating 1,10-phenanthroline ligand.
Triaquachloridobis[4-(dimethylamino)benzaldehyde-κO]nickel(II) chloride
Authors: Wang Qiang , Wang Da-Qi , Sun Yu-Ying
Published: November 2007

In the title complex, [NiCl(C9H11NO)2(H2O)3]Cl, the NiII ion is six-coordinated by one Cl atom [Ni—Cl = 2.3712 (11) Å], two O atoms from two 4-(dimethylamino)benzaldehyde (L) ligands and three water molecules in a distorted octahedral geometry [Ni—O = 2.076 (3)–2.094 (3) Å]. The mean planes of the two L ligands make a dihedral angle of 65.8 (1)°. In the crystal structure, intermolecular O—H...Cl hydrogen bonds link cations and anions into two-dimensional sheets parallel to the ab plane, with the L ligands protruding above and below.
Bis[N-aminocarbonyl-N′-(3-pyridylmethylene-κN)hydrazine]diaquabis(thiocyanato-κN)zinc(II)
Authors: Deng Ji-Hua , Guo Gui-Quan , Zhong Di-Chang
Published: November 2007

The Zn atom of the title complex, [Zn(NCS)2(C7H8N4O)2(H2O)2] or [Zn(SCN)2(H-Pysc)2(H2O)2] [H-Pysc = N-aminocarbonyl-N′-(3-pyridylmethylene)hydrazine], derived from the condensation of pyridine-3-carbaldehyde and semicarbazone, is located at a crystallographic centre of inversion and is octahedrally coordinated by two thiocyanate anions, two aqua molecules and two molecules of the neutral Schiff base ligand H-Pysc. The Schiff base molecules act as monodentate ligands coordinating the metal through the pyridyl N atom, whereas the amide O and imine N atoms remain uncoordinated. The crystal packing is stabilized by intermolecular hydrogen bonds involving H-Pysc ligands, thiocyanate anions and water molecules.
cis-Bis(benzylmethylphenylphosphine-κP)tetracarbonylmolybdenum(0)
Authors: Doddi Adinarayana , Luiz T. Arun , Ramkumar V. , Rao M. N. Sudheendra
Published: November 2007

In the title compound, [Mo(CO)4(C14H15P)2], the molybdenum center has a slightly distorted cis-MoP2C4 octahedral geometry. One of the phosphine ligands is disordered over two orientations in a 0.686 (3):0.314 (3) ratio. The packing may be stabilized by weak C—H...O and C—H...π interactions.
An N-bridged tritungsten compound for the chemical vapor deposition of WN
x
thin films
Authors: Koller Jürgen , McElwee-White Lisa , Abboud Khalil A.
Published: November 2007

In the title compound, octachlorido-1κ4
Cl,3κ4
Cl-di-μ2-nitrido-1:2κ2
N:N;2:3κ2
N:N-tetrapyridine-1κN,2κ2
N,3κN-bis(trimethylsilylimido-2κN)tritungsten(V) dichloromethane disolvate, [W3(C3H9NSi)2Cl8N2(C5H5N)4]·2CH2Cl2, the central W metal atom is located on a twofold rotation axis and is coordinated in a distorted octahedral environment by two trimethylsilylimido groups, two pyridine molecules and two μ-N atoms which bridge it to the two other W atoms. These terminal W centers also show a distorted octahedral coordination, the bridging N atom and the pyridine ligand being trans with respect to each other. Additionally, four Cl atoms are bound to each terminal W atom, in a square-planar geometry, completing the octahedral coordination.
2,3-Diethylthiazolium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)
Authors: Tomiyama Etsuko , Tomono Kazuaki , Miyamura Kazuo
Published: November 2007

In the title complex, (C7H12NS)[Ni(C3S5)2], the dihedral angle between the thiazole ring of the cation and the plane of the anion is 8.0 (2)°. In the crystal structure, S...S intermolecular interactions between the anions form a distorted honeycomb structure parallel to the (002) plane, with cavities ∼12.34 Å in diameter. The cavities are filled with cations. The cations and anions are linked via S...S [3.6657 (15) and 3.6240 (15) Å] and C—H...S interactions.
4,4′-(Ethane-1,2-diyl)dipyridinium di-μ-citrato-bis[aquacobaltate(II)]
Authors: Yu Jian
Published: November 2007

The anion of the title complex, (C12H14N2)[Co2(C6H4O7)2(H2O)2], is a centrosymmetric edge-shared bioctahedral dimer, in which the two Co atoms are bridged by two alkoxide O atoms of the fully deprotonated citrate ligands. All of the carboxylate groups coordinate in a monodentate fashion to terminal positions, and two water molecules complete the slightly distorted octahedral coordination. The dinuclear cation complex and the dianion are organized around inversion centers. Supramolecular O—H...O and N—H...O interactions stabilize the architecture.
1-Propylquinolinium triiodidocuprate(I)
Authors: Wang Yun Jie , Li Hao Hong , Chen Zhi Rong , Huang Chang Cang , Liu Ji Bo
Published: November 2007

In the title compound, (C12H14N)2[CuI3], the asymmetric unit contains two N-propylquinolinium cations which lie on opposite sides of the CuI3
2− anion. In the anion, Cu—I bond distances lie in the range 2.5161 (13)–2.5529 (12) Å. All of the atoms in the anion are essentially coplanar, with an r.m.s. deviation from the [CuI3]2− mean plane of 0.0001 Å. In the crystal structure, an extensive network of C—H...I hydrogen bonds links the cations and anions into an extended three-dimensional network, with the cations further aggregated through π–π stacking interactions [centroid–centroid distances 3.48 (7) and 3.43 (5) Å].
9-Methyl-2,6-di-p-tolyl-2,3,6,7-tetrahydro-1H,5H-pyrimido[5,6,1-ij]quinazoline
Authors: Mahon Andrew B. , Craig Donald C. , Try Andrew C.
Published: November 2007

The title compound, C25H27N3, possesses an essentially planar, fused tricyclic platform, from which two p-tolyl rings project on the same face to create a hydrophobic pocket.
Tetrakis(μ-naphthalene-1-acetato)bis[(naphthalene-1-acetato)(1,10-phenanthroline)samarium(III)] N,N-dimethylformamide disolvate
Authors: Xia Hai-Tao , Liu Yu-Fen , Wang Da-Qi , Yang Shu-Ping
Published: November 2007

The title complex, [Sm2(C12H9O2)6(C12H8N2)2]·2C3H7NO, is centrosymmetric. The Sm atom is nine-coordinate in a distorted monocapped square-antiprismatic coordination geometry. Molecules are linked into a chain by C—H...O hydrogen bonds parallel to the a axis direction and into a sheet by C—H...π hydrogen bonds parallel to the (100) plane. The combination of these chains and sheets generates a three-dimensional framework structure.
4-Oxo-3,4-dihydroquinazolin-3-ylmethyl N,N-diisopropylcarbamodithioate
Authors: Liu Ming-zhen , Huang Wei
Published: November 2007

In the title compound, C16H21N3OS2, the dihedral angle between the aromatic rings is 3.60 (3)°. An intermolecular C—H...O hydrogen bond links the molecules into chains along the c axis.
1,5-Anhydro-2,3,4,6-tetra-O-acetyl-D-lyxo-hex-1-enitol
Authors: Zhang Yan , Jia Jiong , Pang Li-Na , Wang Jian-Wu
Published: November 2007

The title compound, C14H18O9, adopt the half-chair conformation 4
H
5 in the crystalline state. The structure is stabilized by C—H...O hydrogen bonds, in addition to van der Waals forces.
1-(Ylomethyl)cyclopentyl 1′,2′-phenylene orthocarbonate
Authors: Betz Richard , Klüfers Peter
Published: November 2007

The dispiro title compound (systematic name: 1,4,6,13-tetraoxa-2,3-benzodispiro[4.1.4.2]tridecane), C13H14O4, is an asymmetric orthocarbonic acid ester of an aromatic and an aliphatic vicinal diol. C—O bond lengths at the orthoester centre show a typical difference of about 0.06 Å, as has been observed for related spiro esters with an aliphatic component that does not impose steric strain in the vicinity of the orthocarbonic acid centre. The C—O bond-length differences are also observed in density functional theory (DFT) calculations, thus ruling out a decisive influence of intermolecular forces in the crystal structure. The crystal structure is a polar arrangement of the ester molecules established by van der Waals interactions and, atypically for this class of compounds, by a relatively short C—H...O hydrogen bond.
Hydrogen-bonding patterns in 4-[(5-methylisoxazol-3-yl)aminosulfonyl]anilinium chloride
Authors: Subashini Annamalai , Muthiah Packianathan Thomas , Bocelli Gabriele , Cantoni Andrea
Published: November 2007

In the title compound, C10H12O3N3S+·Cl−, 4-amino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide is protonated on the amine N atom which is connected to the benzene ring. The geometry around the S atom is considerably distorted from ideal tetrahedral geometry. The crystal packing is stabilized by intermolecular N—H...N, N—H...Cl, N—H...O and C—H...O hydrogen bonds.
Bis[benzyl(methyl)ammonium] tetrathiomolybdate(VI)
Authors: Srinivasan Bikshandarkoil R. , Girkar Siddhali V. , Raghavaiah Pallepogu
Published: November 2007

The title compound, (C8H12N)2[MoS4], was synthesized by the aqueous reaction of ammonium tetrathiomolybdate with benzyl(methyl)amine in a 1:2 molar ratio. The structure consists of a slightly distorted tetrahedral [MoS4]2− dianion and two crystallographically independent benzyl(methyl)ammonium cations, with all atoms located in general positions. The cations and anions are linked by weak N—H...S and C—H...S interactions, the strength and number of which can explain the observed Mo—S bond distances.
Ethyl 4-amino-5-cyano-2-methyl-6-(2-nitrophenoxy)nicotinate
Authors: Ren Qing-Yun , He Hong-Wu , Yao Yong-Yan , Gu Yu-Cheng
Published: November 2007

In the title compound, C16H14N4O5, the benzene ring of the nicotinate residue is inclined at an angle of 64.06 (10)° to the benzene ring of the nitrophenoxy group. The molecules are linked by two intermolecular C—H...O and N—H...N hydrogen bonds into a complex three-dimensional framework structure. C—H...π interactions also contribute to the stability of the crystal packing.
(Z)-5-(2-Chlorobenzylidene)thiazolidine-2,4-dione
Authors: Sun Hong-shun , He Wei , Xu Ye-ming , Tang Shi-gui , Guo Cheng
Published: November 2007

In the title compound, C10H6ClNO2S, the benzene and thiazolidine rings are oriented at a dihedral angle of 14.22 (5)°. Intramolecular C—H...O, C—H...Cl and C—H...S hydrogen bonds result in the formation of two nearly planar five-membered rings and one nonplanar six-membered ring, the five-membered rings being also nearly coplanar with the adjacent rings. In the crystal structure, intermolecular N—H...O hydrogen bonds link the molecules.
1-Bromo-2,6-bis(4-methylpiperazin-1-ylmethyl)benzene
Authors: Copolovici Lucian , Bojan Vilma , Silvestru Cristian , Varga Richard A.
Published: November 2007

In the title compound, C18H29BrN4, both piperazine rings assume a chair conformation. Weak intermolecular C—H...Br interactions result in dimeric associations in the crystal structure. There are no further interactions between neighbouring dimer units.
{μ-[Dimethyl(1,1,2-trimethylpropyl)silyl](2-pyridylmethyl)amido}bis[methylzinc(II)]
Authors: Koch Christian , Görls Helmar , Westerhausen Matthias
Published: November 2007

Zincation of (dimethylthexylsilyl)(2-pyridylmethyl)amine (thexyl = 1,1,2-trimethylpropyl) with dimethylzinc in toluene yields the dimeric title compound, [Zn2(CH3)2(C14H25N2Si)2]. Each Zn atom is coordinated tetrahedrally by three N atoms and a methyl group. The molecule shows inversion symmetry. The central Zn2N2 ring is planar, with an N—Zn—N angle of 95.33 (9)°. The exocyclic Zn—C bond length of 1.995 (3) Å has a characteristic value.
2-[5-(4-Bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetic acid
Authors: Choi Hong Dae , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: November 2007

The title compound, C17H13BrO3S, was prepared by alkaline hydrolysis of ethyl 2-[5-(4-bromophenyl)-3-methylsulfanyl-1-benzofuran-2-yl]acetate. There are two symmetry-independent molecules in the asymmetric unit. The 4-bromophenyl rings are rotated out of the benzofuran planes, with dihedral angles for the two molecules of 50.22 (8) and 35.4 (1)°. The methyl groups of the methylsulfanyl substituent are almost perpendicular to the plane of the benzofuran fragment [99.5 (2) and 100.8 (2)°] and are slightly tilted towards it. The crystal structure is stabilized by a C—H...O hydrogen bond and a Br...O halogen bond [Br...O = 3.284 (2) Å], and by inversion-related intermolecular O—H...O hydrogen bonds between the carboxyl groups from two symmetry-independent molecules.
2-[(E)-(Dimethylamino)methyleneamino]-N-phenylbenzenesulfonamide
Authors: Zhong Qian-shou
Published: November 2007

In the title compound, C15H17N3O2S, all bond lengths and angles are normal. Intramolecular N—H...N hydrogen bonding influences the molecular conformation. The benzene and phenyl rings make a dihedral angle of 75.80 (2)°. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link the molecules into zigzag chains extended along the b axis.
2-(4-Flouroanilino)tropone
Authors: Steyl Gideon
Published: November 2007

The title compound, C13H10FNO, which was synthesized from the reaction of tosyloxytropone and 4-fluoroaniline, has two independent molecules of similar bond dimensions in the asymmetric unit. Adjacent molecules are linked by hydrogen bonds and C—H...F interactions.
2-Methyl-5-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-ylmethylsulfanyl}-1,3,4-thiadiazole
Authors: Wang Pin-Liang , Zeng Hai-Shu , Kang Si-Shun , Li Hai-Ling , Wang Hai-Bo
Published: November 2007

The title compound, C13H12N4O3S3, was synthesized via condensation of 1,2,4-oxadiazole chloromethane with 1,3,4-thiadiazolethiol. There are three rings in the molecule. The benzene and oxadiazole rings are coplanar due to the extended aromatic system. The angle between this plane and the thiadiazole plane is 82.2°.
2-Chloro-3-(2,2,2-trifluoroethoxy)pyridine
Authors: Wang Pin-Liang , Zeng Hai-Su , Kang Si-Shun , Wang Hai-Bo
Published: November 2007

The title compound, C7H5ClF3NO, was synthesized by the reaction of 2-chloro-3-hydroxypyridine with 2-chloro-1,1,1-trifluoroethane. The pyridine ring and the O and Cl atoms are nearly coplanar, the largest deviation from the mean plane being 0.078 (6) Å. Bioassay indicates that the title compound has a good fungicidal activity.
Bis{1-[bis(2-aminoethyl)amino]propan-2-ol}nickel(II) bis(perchlorate)
Authors: Qian Bao-Hua , Zhang Zhen-Ming , Lu Lu-De , Yang Xu-Jie , Wang Xin
Published: November 2007

In the title compound, [Ni(C7H19N3O)2](ClO4)2, the Ni atom, which is located on an inversion center, is hexacoordinated by six N atoms from two ligands, forming a distorted octahedron. The complex molecules are linked by N—H...O hydrogen bonding, forming a one-dimensional chain structure along the a axis, which is further hydrogen bonded with the perchlorate anion to form a three-dimensional framework. One —CH2—CH2— group is disordered over two positions; the site occupancy factors are ca. 0.6 and 0.4.
1,4-Bis[2,2-bis(trimethylsilyl)ethenyl]benzene
Authors: Pawluć Piotr , Marciniec Bogdan , Kubicki Maciej
Published: November 2007

The molecules of the title compound, C22H42Si4, are centrosymmetric. van der Waals interactions determine the crystal structure.
Di-μ-chlorido-bis[chlorido(η6-toluene)ruthenium(II)]
Authors: Mattsson Johan , Therrien Bruno
Published: November 2007

In the centrosymmetric dinuclear title complex, [Ru2Cl4(η6-C6H5CH3)2], accessible from RuCl3·nH2O and 1-methylcyclohexa-1,4-diene, the toluene ligand is planar with a ruthenium–centroid distance of 1.646 Å.
Chloridobis(η5-cyclopentadienyl)(4-methoxyphenethyl)zirconium(IV)
Authors: Burford Richard , Garon Christian N. , Fontaine Frédéric-Georges , Westcott Stephen A.
Published: November 2007

In the structure of the title compound, [Zr(C5H5)2(C9H11O)Cl], the Zr atom is in a pseudo-tetrahedral coordination environment and is coordinated by two η5-cyclopentadienyl (Cp) rings, a chloride ion and a 4-methoxyphenethyl group. The 4-methoxyphenethyl ligand is disordered over two positions; the site occupancy factors are ca 0.6 and 0.4.
1,1,2-Trichloro-4,4-bis(4-methylphenylsulfanyl)-3-nitrobuta-1,3-diene
Authors: Ibis Cemil , Deniz N. Gulsah
Published: November 2007

The title compound, C18H14Cl3NO2S2, was synthesized by the reaction of 1,1,2,4-tetrachloro-4-(4-methylphenylsulfanyl)-3-nitrobuta-1,3-diene with ethanedithiol. The butadiene unit is not completely planar as would be expected if the two double bonds were fully conjugated The torsion angle of the butadiene unit is −82.2 (5)°.
4-(4-Aminophenoxy)anilinium 2-hydroxy-2,2-diphenylacetate
Authors: Han Qiuxia , Li Jie
Published: November 2007

The asymmetric unit of the title salt, C12H13N2O+·C14H11O3
−, contains two cations and two anions, in which cation–anion pairs are linked together by an N—H...O hydrogen bond. An intramolecular O—H...O hydrogen bond occurs within each anion and forms an S(5) ring. These component ions are organized through further hydrogen bonds into layers parallel to (001).
A solvent-free modification of {2,6-bis[(1,3-di-tert-butylimidazolin-2-ylideneamino)methyl]pyridine}(hydrogen carbonato)copper(II) hexafluoridophosphate
Authors: Jones Peter G. , Hrib Cristian G. , Petrovic Dejan , Tamm Matthias
Published: November 2007

A new crystal form of the title compound, [Cu(CHO3)(C29H47N7)]PF6, is closely similar in cation geometry to the previously reported acetone solvate [Petrovic, Bannenberg, Randoll, Jones & Tamm (2007). Dalton Trans. pp. 2812–2822]. The coordination at the Cu atom is square planar, although the O atom lies 0.224 (5) Å out of the N3 ligand plane. The cations are associated to form inversion-symmetric dimers via hydrogen bonding between bicarbonate units.
catena-Poly[[tetra-μ-anilinoacetato-bis(1,10-phenanthroline)dilanthanum(III)]-di-μ-anilinoacetato]
Authors: Zhong H. , Yang X.-M. , Xie H.-L. , Luo C.-J.
Published: November 2007

In the crystal structure of the title compound, [La2(C8H8NO2)6(C12H8N2)2]
n
, the LaIII atoms are bridged by two tridentate, two bidentate and four mondentate carboxylate groups with an inversion centre between the two LaIII ions. Each La atom is nine-coordinated by two 1,10-phenanthroline N atoms and seven O atoms of four anilinoacetate ligands. In the crystal structure, the chains are linked by hydrogen bonds into a polymeric sheet structure.
6′′-Methoxy-1′-methyl-4′-phenylacenaphthene-1-spiro-2′-pyrrolidine-3′-spiro-3′′-chroman-2,4′′-dione
Authors: Augustine T. , Ramkumar V. , Arul Antony S. , Kanakam Charles. C.
Published: November 2007

In the crystal structure of the title compound, C31H25NO4, the five-membered heterocyclic ring is in an envelope conformation and the dihydropyrone ring is in a half-chair conformation.
2-Bromo-5-methoxybenzohydrazide
Authors: Sarojini B. K. , Mustafa K. , Narayana B. , Yathirajan H. S. , Bolte Michael
Published: November 2007

In the title compound, C8H9BrN2O2, the amide bond is in a cis configuation. The N—N—C=O group is planar [torsion angle 0.6 (6)°] and forms a dihedral angle of 46.4 (2)° with the aromatic ring. The crystal packing is stabilized by two strong and one rather weak N—H...O hydrogen bonds.
μ-Chlorido-bis({N-benzyl-N′-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)) chloride
Authors: Liu Yu-Fen , Xia Hai-Tao , Wang Da-Qi , Yang Shu-Ping
Published: November 2007

In the title compound, [Cu2Cl3(C18H25N3)2]Cl, the asymmetric unit consists of one half of a μ-chlorido-bis[{N-benzyl-N′-[2-(benzylamino)ethyl]ethane-1,2-diamine}chloridocopper(II)] complex cation and one chloride anion lying on a twofold rotation axis. The two CuII centres are symmetry-related by a twofold rotation axis passing through the bridging Cl atom. The Cu atoms exhibit a distorted square-pyramidal coordination environment. The basal and apical Cu—Cl bond lengths are 2.254 (2) and 2.658 (2) Å, respectively. The Cu...Cu distance and Cu—Cl—Cu angle are 4.349 (6) Å and 109.8 (2)°, respectively. In the crystal structure, the molecules of the complex are linked into chains along b and a by C—H...π hydrogen bonds. The chloride anion links these chains along c into a three-dimensional network structure.
9-Sila-9,9′′-spirobixanthene
Authors: Mague Joel T. , Balakrishna Maravanji S. , Venkateswaran Ramalingam
Published: November 2007

The title molecule, C24H16O2Si, exhibits slightly distorted tetrahedral coordination about silicon, a slight folding of each half of the molecule about the Si...O line, and π–π and C—H...π-ring interactions.
(E)-1,3-Benzodioxole-5-carbaldehyde 4-nitrophenylhydrazone
Authors: Yin Zhi-Gang , Qian Heng-Yu , Jie Hu , Yu-Li Feng
Published: November 2007

In the title compound, C14H11N3O4, the two benzene rings are nearly coplanar, making a dihedral angle of 5.2 (16)°. The crystal packing is consolidated by intermolecular N—H...O hydrogen bonding.
2-(Benzoylhydrazinocarbonyl)benzoic acid
Authors: Liu T. , Zhu J. Y.
Published: November 2007

In the molecule of the title compound, C15H12N2O4, the benzene rings are oriented at a dihedral angle of 8.01 (3)°. In the crystal structure, intermolecular N—H...O hydrogen bonds result in the formation of a supramolecular network structure.
(1R,4S,8R,12S,13S,14R,16S,19R)-14-Hydroxy-7,7-dimethyl-17-methylene-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-19-yl acetate
Authors: Shi Hao
Published: November 2007

The title compound, C22H26O8, prepared from the natural diterpenoid Macrocalyxin J, is built up from five fused rings. Cyclohenane ring A adopts a chair conformation, ring B exists in a screw-boat conformation and ring C adopts a boat conformation; the two five membered rings adopt envelope conformations. Two unique molecules are present in the asymmetric unit; both independent molecules have the same absolute configuration, the absolute configuration being deduced from the chirality of Macrocalyxin A, which was isolated from the same plant (i.e. Rabdosia macrocalyx) as Macrocalyxin J. The crystal structure displays intermolecular O—H...O hydrogen bonds.
catena-Poly[[aqua(4,4′-bipyridine-κ2
N,N′)cobalt(II)]-μ-3-(4-carboxylatophenoxy)propionato-κ3
O:O′,O′′]
Authors: Kong Li-Li , Gao Shan , Huo Li-Hua , Ng Seik Weng
Published: November 2007

In the crystal structure of the polymeric title compound, [Co(C10H8O5)(C10H8N2)(H2O)]
n
, the CoII atom is O,O′-chelated by the aromatic carboxylate end of the 3-(4-carboxylatophenoxy)propionate dianion, and is covalently bonded (through one O atom) by the aliphatic carboxylate end of another dianion; it is also coordinated by a water molecule to give an octahedral coordination environment. The compound adopts a helical chain structure that propagates along the c axis of the orthorhombic unit cell. The coordinated water molecule engages in both intrachain and interchain hydrogen bonding; the interchain hydrogen bonds result in a honeycomb motif. The crystal structure is an inversion twin and the ratio of the two twin components refined to 0.47 (2):0.53 (2).
4,4-Dimethyl-2-tosyl-2,3,3a,4-tetrahydro-1H,10H-pyrrolo[3,4-c]pyrano[6,5-b]indan-10-one
Authors: Chinnakali K. , Sudha D. , Jayagopi M. , Raghunathan R. , Fun Hoong-Kun
Published: November 2007

The molecule of the title compound, C23H23NO4S, adopts a folded conformation, with the cyclopentadienone ring and tosyl groups arranged in an almost face-to-face fashion. The pyrrolidine ring has an envelope conformation and the dihydropyran ring is in a half-chair conformation. The pyrrolidine and dihydropyran rings are cis-fused. The indenone ring system is essentially planar, and the indene plane forms a dihedral angle of 25.12 (3)° with the sulfonyl-bound benzene ring. In the crystal structure, molecules translated by one unit cell along the a-axis direction are linked into a chain by C—H...O hydrogen bonds. The inversion-related molecules of adjacent chains are linked along the c axis by C—H...O hydrogen bonds into a sheet-like structure parallel to the ac plane.
9-(Methoxymethyl)anthracene
Authors: Liu Jie , Wei Guo-Hua , Ping Guang-Ju , Ma Jian-Fang
Published: November 2007

The title compound, C16H14O, crystallizes with two independent molecules in the asymmetric unit, one of which lies on a crystallographic mirror plane. Intermolecular C—H...O hydrogen bonds link the molecules into infinite one-dimensional chains.
2,2,4,4-Tetrabromo-1,1,3,3-tetramethylcyclodiborazane
Authors: Fuks Gad , Saffon Nathalie , Bourissou Didier , Bertrand Guy
Published: November 2007

The title compound, C4H12B2Br4N2, contains an almost square four-membered ring that results from the head-to-tail dimerization of the dimethylaminodibromoborane. The dimer has almost mmm symmetry and does have 2/m crystallographic symmetry. The crystal structure involves C—H...Br hydrogen bonds.
Rb3[PMo12O40], a compound containing Keggin anions
Authors: Armand P. , Granier D. , Lee A. van der
Published: November 2007

The cubic structure of trirubidium molybdophosphate, Rb3[PMo12O40], contains α-type Keggin [PMo12O40]3− anions and Rb+ counter-ions located in orthogonally intersecting channels. The P and Rb atoms are located on special positions with site symmetries \overline{4}3m and \overline{4}2.m, respectively. The three-dimensional arrangement is isostructural with that found in, for example, X
3[PMo12O40], with X = K, NH4 and H3O, or X
3[PW12O40] and X
4[SiW12O40], with X = Ag and Tl. The compound was crystallized using a typical high-temperature solid-state reaction with GaPO4 and X
3Mo3O10 (X = Rb or Li) as starting materials.
Dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)zinc(II) 0.35-hydrate
Authors: Qiu Yu-E
Published: November 2007

The title compound, [ZnCl2(C26H20N2)]·0.35H2O, consists of one mononuclear dichlorido(2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline)zinc(II) molecule and a partial-occupancy water molecule. The ZnII atom is coordinated by two N atoms of one phenanthroline molecule and two chloride ions in a tetrahedral geometry. In the structure there exist O—H...Cl hydrogen bonds and π–π interactions [centroid–centroid = 4.035 (4) Å and vertical distance = 3.883 (4) Å], which lead to the formation of one-dimensional supramolecular chains. This compound is isostructural with the CuCl2, NiI2, NiBr2 and PtI2 adducts of the ligand 9-dimethyl-4,7-diphenyl-1,10-phenanthroline.
Tetrakis[(R)-lactamide-κ2
O,O′]strontium(II) dibromide
Authors: Lemoine Pascale , Viossat Bernard , Brion Jean Daniel , Bekaert Alain
Published: November 2007

The title compound, [Sr(C3H7NO2)4]Br2, contains one monomeric octacoordinated strontium complex cation and two Br− anions. The Sr atom lies on a twofold axis. Coordination occurs via the amide [similar Sr—O: average 2.539 (4) Å] and hydroxy O atoms [Sr—O = 2.535 (4)–2.703 (3) Å], and the geometry may be described as a distorted square-antiprismatic arrangement with the Sr atom located 1.481 (2)Å away from the least-squares planes of the two symmetry-related square bases. In the crystal structure, the cations and anions are linked by N—H...Br and O—H...Br hydrogen bonds, generating a three-dimensional network.
Bis[N
3-(2-hydroxybenzoyl)pyridine-2-carboxamidrazonato-κ3
N
1,N
2,O]zinc(II)
Authors: Li Yong
Published: November 2007

In the title compound, [Zn(C13H11N4O2)2], the Zn atom is coordinated in a distorted octahedral manner by pyridyl N atoms, amidrazonate N atoms and carbamoyl O atoms from two tridentate N
3-salicyloylpyridine-2-carboxamidrazonate ligands. N—H...O hydrogen bonds link the molecules to form a one-dimensional chain parallel to the b axis. The O—H...N hydrogen bonds are intramolecular and do not participate in the packing.
Chlorido(η4-cycloocta-1,5-diene)[(S)-2-(methoxymethyl)pyrrolidine-κN]rhodium(I)
Authors: Dahlenburg Lutz , Treffert Harald , Heinemann Frank W.
Published: November 2007

The title compound, [RhCl(C8H12)(C6H13NO)], which is of interest from the point of view of catalysis, crystallizes with two independent molecules in the asymmetric unit, which is the complete unit cell. Neither the Rh—Cl nor the Rh—N bond lengths deviate significantly from the corresponding dimensions observed for closely related chloride–rhodium complexes in the literature. Individual molecules are interlinked through N—H...Cl hydrogen-bonding interactions.
catena-Poly[[bis(4-methoxybenzoato)copper(II)]-μ-1,1′-(oxydiethylene)diimidazole-κ2
N
3:N
3′]
Authors: Wei Guo-Hua , Zhang Lai-Ping , Ma Ji-Cheng , Yang Jin
Published: November 2007

In the title compound, [Cu(C7H4O3)2(C10H14N4O)]
n
, the CuII atom lies on a centre of symmetry and is four-coordinated by two N atoms from two 1,1′-(oxydiethylene)diimidazole (BIE) ligands and two O atoms from two 4-methoxybenzoate anions in a square-planar geometry. Each BIE ligand links two CuII atoms to form an infinite chain structure along the c axis. The 4-methoxybenzoate anion, as a terminal ligand, attaches to both sides of the BIE–CuII chains.
3-Nitro-N,N-bis(p-tolylsulfonyl)aniline
Authors: Zhao Ke-Jian , Wu Xiang-Xiang , Wang Guoping , Hu Mao-Lin
Published: November 2007

In the title compound, C20H18N2O6S2, all bond lengths and angles are within normal ranges. The configuration around central N atom is almost planar; the r.m.s. deviation for the fitted atoms is 0.0218 Å. The electron-withdrawing effect of the S atom is observed in this structure, i.e. the ortho–meta–para C—C—C angles in the attached rings are greater than 120°.
(1R,4S,8R,12S,13S,14R,16S,17R,19R)-14-Hydroxy-7,7,17-trimethyl-2,9,18-trioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadec-19-yl acetate
Authors: Shi Hao
Published: November 2007

The title compound, C22H28O8, was prepared from the natural diterpenoid macrocalyxin J by two steps. It is built up from five fused rings: three six-membered rings and two five-membered rings. Two molecules are present in the asymmetric unit; both independent molecules have the same absolute configuration, and the absolute configuration was deduced from the chirality of macrocalyxin A, which was isolated from the same plant (i.e. Rabdosia macrocalyx) as macrocalyxin J. The two molecules are linked by O—H...O hydrogen bonds, building a pseudo-dimer. Further O—H...O hydrogen bonds link these dimers to form a chain parallel to the a axis.
r-2,c-6-Bis(4-chlorophenyl)-t-3-isopropylpiperidin-4-one
Authors: Thiruvalluvar A. , Balamurugan S. , Butcher R. J. , Manimekalai A. , Sivakumar S.
Published: November 2007

The piperidine ring of the title molecule, C20H21Cl2NO, is in a chair form. The dihedral angle between the two benzene rings is 52.4 (1)°. The chlorophenyl and isopropyl groups have equatorial orientations. Weak C—H...O and C—H...N intramolecular interactions were found in the crystal structure.
rac-catena-Poly[nickel(II)-di-μ-tryptophanato]
Authors: Wang Jian , Xu Xingyou , Ma Weixing , Lu Lude , Yang Xvjie
Published: November 2007

The title complex, [Ni(C11H11N2O2)2]
n
or [Ni(D-trp)(L-trp)]
n
[D-trp = (R)-2-amino-3-(3-indolyl)propionate and L-trp = (S)-2-amino-3-(3-indolyl)propionate], was formed by a hydrothermal method from hexaaquanickel(II) perchlorate and L-tryptophan. The NiII atom is located on an inversion center and has an octahedral coordination geometry formed by four O atoms and two N atoms from D– and L-tryptophan ligands. Each D– and L-tryptophan ligand bridges the NiII atoms through the carboxylate group, leading to a two-dimensional structure parallel to the bc plane.
Association of polymorphisms in the dopamine D4 receptor gene and the activity‐impulsivity endophenotype in dogs
Authors: Hejjas K. , Vas J. , Topal J. , Szantai E. , Ronai Z. , Szekely A. , Kubinyi E. , Horvath Z. , Sasvari‐Szekely M. , Miklosi A.
Published: November 2007

A variable number of tandem repeats (VNTR) polymorphism in exon 3 of the human dopamine D4 receptor gene (DRD4) has been associated with attention deficit hyperactivity disorder (ADHD). Rodents possess no analogous repeat sequence, whereas a similar tandem repeat polymorphism of the DRD4 gene was identified in dogs, horses and chimpanzees. Here, we present a genetic association study of the DRD4 VNTR and the activity‐impulsivity dimension of the recently validated dog‐ADHD Rating Scale. To avoid false positives arising from population stratification, a single breed of dogs (German shepherd) was studied. Two DRD4 alleles (referred to as 2 and 3a) were detected in this breed, and genotype frequencies were in Hardy–Weinberg equilibrium. For modelling distinct environmental conditions, ‘pet’ and ‘police’ German shepherds were characterized. Police German shepherds possessing at least one 3a allele showed significantly higher scores in the activity‐impulsivity dimension of the dog‐ADHD Rating Scale than dogs without this allele (P = 0.0180). This difference was not significant in pet German shepherds. To the best of our knowledge, this is the first report of an association between a candidate gene and a behaviour trait in dogs, and it reinforces the functional role of DRD4 exon 3 polymorphism.