bluuebunny/crossref_metadata_2025 huggingface dataset:
3-[6-(4-Bromophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazin-3-yl]propanol
Authors: Zhang Li-Xue , Jin Jian-Yu , Zhou San-Nu , Xiao Hong-Ping , Zhang An-Jiang
Published: April 2006

The title compound, C13H13BrN4OS, crystallizes with two molecules in the asymmetric unit. Intermolecular O—H...N hydrogen bonds enhance the stability of the crystal structure.
3-Phenylsulfanyl-1-phenylsulfonyl-1H-indole-2-carbaldehyde
Authors: Sakthivel P. , SethuSankar K. , Jaisankar P. , Joseph P. S.
Published: April 2006

In the title compound, C21H15NO3S2, the phenyl ring of the phenylsulfonyl substituent makes a dihedral angle of 73.6 (1)° with the mean plane of the indole ring system, whereas the phenyl ring of the phenylsulfanyl group forms a dihedral angle of 73.9 (1)° with the mean plane of the indole ring system. The crystal packing is stabilized by C—H...O interactions.
Poly[[[aqua(1,10-phenanthroline)cobalt(II)]-μ3-4-bromoisophthalato] monohydrate]
Authors: Hu Xin-Gen , Xiao Hong-Ping
Published: April 2006

In the title compound, {[Co(C8H3BrO4)(C12H8N2)(H2O)]·H2O}
n
, each CoII ion is six-coordinated by three O atoms from three carboxylate groups of three 4-bromoisophthalate dianions, one water molecule, and two N atoms from a 1,10-phenanthroline ligand. The coordination geometry around the CoII cation is octahedral. Whereas the 1,10-phenanthroline ligand chelates to just one CoII cation, the 4-bromoisophthalate dianions are bonded to three CoII cations. The crystal structure is stabilized by several hydrogen bonds.
cis-Aquabis[bis(diphenylphosphino)ethane-κ2
P,P′]chlororuthenium(II) hexafluorophosphate dichloromethane sesquisolvate hemihydrate
Authors: Russo Luca , Figueira João , Rodrigues João , Rissanen Kari
Published: April 2006

In the title compound, [RuCl(C26H24P)2(H2O)]PF6·1.5CH2Cl2·0.5H2O, the complex RuII cation is in a slightly distorted octahedral environment, chelated by two bis(diphenylphosphino)ethane ligands, with a water molecule and a chloride anion in a mutually cis geometry completing the coordination.
A trinuclear copper(II) complex: triaquachlorotriperchloratobis[μ2-3-(2-pyridylmethylamino)butyrato]tricopper(II) dihydrate
Authors: Choi Ki-Young , Lee Kyu-Chul , Lee Han-Hyoung , Ko Jaejung , Han Won-Sik
Published: April 2006

In the title compound, [Cu3(C10H13N2O2)2Cl(ClO4)3(H2O)3]·2H2O, the Cu atoms exhibit octahedral, square-pyramidal and square-planar coordination environments, and they are linked by carboxylate groups to form a trinuclear structure. The five water molecules participate in intra- and intermolecular hydrogen bonding.
Octabutanol(dodecaoxidododecaphenyl[18.4.0]dodecasiloxane)tetracopper(II)tetrasodium(I)
Authors: Bauch Christian , Zherlitsyna Larissa , Auner Norbert , Bolte Michael
Published: April 2006

Molecules of the title compound, [Cu4Na4(C6H5O2Si)12(C4H10O)8], are located on special positions of site symmetry \overline{4}. The Cu atoms are coordinated in a square planar fashion. The Na atoms, on the other hand, show an irregular sixfold coordination mode. The molecular conformation is stabilized by O—H...O hydrogen bonds.
Tris[2,5-bis(1H-benzimidazol-2-yl)pyridinato-κ2
N
1,N
2]cobalt(III) dihydrate
Authors: Zhou Yan-Ling , Zeng Ming-Hua , Ng Seik Weng
Published: April 2006

In the title compound, [Co(C19H12N5)3]·2H2O, three mono-deprotonated 2,5-bis(benzimidazolyl)pyridine heterocycles chelate to cobalt(III) through the N atom of one benzimidazolyl arm of the heterocycle as well as through the pyridyl N atom to form a fairly regular six-coordinate, octahedral geometry geometry for cobalt. A network of N—H...N, N—H...O and O—H...N hydrogen bonds involving the non-coordinated water molecules results in a layered structure.
4-(2-tert-Butylphenoxy)phthalonitrile
Authors: Ustabaş Reşat , Çoruh Ufuk , Akdemir Nesuhi , Ağar Erbil , Yavuz Metin
Published: April 2006

The molecular conformation of the title compound, C18H16N2O, is stabilized by two intramolecular C—H...O interactions. The crystal packing is characterized by C—H...N hydrogen bonds.
N-Ethylethanaminium 3,5,6-trichloropyridin-2-olate
Authors: Zheng Hui , Liu Yun-Kui , Xu Dan-Qian , Xu Zhen-Yuan
Published: April 2006

In the title salt, C4H12N+·C5HCl3NO−, the non-H atoms of the cation are essentially coplanar. Intermolecular N—H...O hydrogen bonds link two cations and two anions into a centrosymmetric cluster. The crystal packing is further stabilized by van der Waals forces.
(1R,2R)-(+)-4,4′-Di-tert-butyl-2,2′-[1,2-diphenylethane-1,2-diylbis(nitrilomethylidyne)]diphenol
Authors: Korendovych Ivan V. , Makhlynets Olga V. , Buzak Sara K. , Flook Margaret M. , Kryatov Sergey V. , Haas Terry E. , Rybak-Akimova Elena V.
Published: April 2006

The crystal structure of the title compound, C36H40N2O2, has been determined at 173 (2) K. The molecule has C
2 symmetry and the asymmetric unit contains one half-molecule. An intramolecular O—H...N hydrogen bond is formed between the phenol OH group and the Schiff base N atom.
Redetermination of bis(2-amino-3-hydroxy-1-phenylpropanolato-κ2
N,O
1)(ethylenediamine-κ2
N,N′)cobalt(III) iodide monohydrate
Authors: Benson Ronald E. , Clearfield Abraham , Daniels Lee M. , Wardeska Jeff G.
Published: April 2006

New data for the title complex, [Co(C9H12NO2)2(C2H8N2)]I·H2O, allow the modelling of previously unresolved disorder [Wardeska et al. (1979). Inorg. Chem.
18, 1641–1648] in the ethylenediamine ligand coordinated to the octahedral cation.
(S)-Methyl 6,7,8,9,10,11-hexahydro-1,6-dimethyl-10,11-dioxophenanthro[1,2-b]furan-6-carboxylate (methyl tashinonate)
Authors: Qin Jiang-Ke , Zeng Ming-Hua , Ng Seik Weng
Published: April 2006

The approximately planar molecules of methyl tanshinonate, C20H18O5, are stacked over each other along the b axis of the monoclinic unit cell. There are two independent molecules in the asymmetric unit.
Isonipecotate chloride
Authors: Ma Zhi-Cheng , Li Xin-Hua
Published: April 2006

The structure of the title compound, C6H12NO2
+·Cl−, consists of an isonipecotate cation and a Cl− anion linked by intermolecular O—H...Cl and N—H...Cl interactions into a three-dimensional network structure.
[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]bis(2-hydroxyethyl)ammonium 4-nitrobenzoate monohydrate
Authors: Hu Xin-Gen , Zhang Hui-Min , Tu Bing , Fang Ying-Ying , Jin Zhi-Min
Published: April 2006

The title salt, C8H20NO5
+·C7H4NO4
−·H2O, is composed of a 4-nitrobenzoate anion, a [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]bis(2-hydroxyethyl)ammonium (NBHHP) cation and a water molecule. The three units are linked by O—H...O hydrogen bonds.
N,N-Diethyl-5-nitropyridin-2-amine
Authors: Yufit Dmitry S. , Turner Michael J. , Howard Judith A. K.
Published: April 2006

In the title compound, C9H13N3O2, the asymmetric unit contains two almost identical but crystallographically independent molecules. The molecules are linked together by pairs of weak C—H...O interactions into zigzag chains, which, in turn, form corrugated layers perpendicular to the a axis.
Uranium trisulfide, US3
Authors: Kwak Jung-eun , Gray Danielle L. , Yun Hoseop , Ibers James A.
Published: April 2006

Uranium trisulfide, US3, is isostructural with USe3, which has the ZrSe3 structure type. In the asymmetric unit, the site symmetries of the U atom and the three S atoms are m. The structure consists of two-dimensional layers that stack perpendicular to the [001] direction. Each layer comprises US8 bicapped trigonal prisms that edge share in the [100] direction and face share in the [010] direction. The compound may be described as U4+(S2−)(S2
2−).
Bis(2,2′-bipyridine-κ2
N,N′)bis(4-hydroxybenzoato-κO)manganese(II)
Authors: Hu Zi-Qiang , Wu Lian-Bin , Lai Guo-Qiao
Published: April 2006

The title MnII complex, [Mn(C7H5O3)2(C10H8N2)2], has twofold symmetry, with the MnII atom located on a twofold axis. Two 4-hydroxybenzoate anions and two 2,2′-bipyridine coordinate to the MnII atom which has a distorted octahedral geometry. Hydrogen bonding between the carboxylate and hydroxyl groups forms a sheet perpendicular to the a axis.
Tetrakis(diethylenetriammonium) tris[hexacyanoferrate(II)] octahydrate
Authors: Li Yu-Guang , Zhu Hai-Liang , Tiekink Edward R. T.
Published: April 2006

The asymmetric unit of the title complex, (C4H16N3)4[Fe(CN)6]3·8H2O, comprises two [H3N(CH2)2NH2(CH2)2NH3]3+ cations, 1.5 octahedral [Fe(CN)6]4− anions and four solvent water molecules; one anion is located on a center of inversion. Extensive hydrogen bonding of the types O—H...O, N and N—H...N, involving all components of the structure, leads to a three-dimensional array.
(R)-2,2′-Bis(methoxymethoxy)-1,1′-binaphthalenyl-3-carbaldehyde
Authors: Chen Wei-Zhu , Fang Hua , Zeng Qing-Le , Xu Peng-Xiang , Zhao Yu-Fen
Published: April 2006

The title compound, C25H22O5, was obtained from (R)-2,2′-bis(methoxymethoxy)-1,1′-binaphthalenyl by ortho-lithiation and quenching with N,N-dimethylformaldehyde. The molecular packing in the crystal structure is stabilized by weak C—H...O hydrogen-bonding interactions.
Bis(5-bromo-1H-indole-3-carbaldehyde 2-nitrobenzoylhydrazonato-κ2
N,O)bis(N,N-dimethylformamide-κO)copper(II)
Authors: Ali Hapipah M. , Abdul Halim Siti Nadiah , Ng Seik Weng
Published: April 2006

The Cu atom in the title compound, [Cu(C16H10BrN4O3)2(C3H7NO)2], lies on a special position of \overline{1} site symmetry in a grossly elongated CuN2O4 octahedral geometry [Cu...ODMF = 3.014 (4) Å]. The Cu atom is also N,O-chelated by the hydrazonate ligand. An N—H...O hydrogen bond helps to consolidate the crystal packing.
(R)-1-Phenylethanaminium–(S,S)-2,3-dibromosuccinate–(R,R)-2,3-dibromosuccinic acid–water (2/1/1/2)
Authors: Fischer Andreas
Published: April 2006

From an aqueous solution of racemic 2,3-dibromosuccinic acid and (R)-1-phenylethanamine, crystals of the title compound, C8H12N+·0.5C4H2Br2O4
2−·0.5C4H4Br2O4·H2O, were obtained in almost quantitative yield. The structure contains both enantiomers of the starting material, dibromosuccinic acid. The S,S enantiomer is present as a dianion and the R,R enantiomer as the neutral acid; both of these components lie on twofold rotation axes. The structure features a complex two-dimensional network of hydrogen bonds.
6-Amino-3-(β-D-2-deoxy-erythro-furanosyl)-2-fluoropyridine: a nucleoside analogue
Authors: Sun Zhenhua , Lo Wayne , McLaughlin Larry W.
Published: April 2006

The title compound [systematic name: (2R,3R,5R)-5-(6-amino-2-fluoropyridin-3-yl)-2-(hydroxymethyl)-2,3,4,5-tetrahydrofuran-3-ol], C10H13FN2O3, is a C-nucleoside with fluorine replacing the O2 carbonyl of deoxycytidine (dC). The furanose ring adopts a C2′-endo conformation, while the orientation of the pyridine ring with respect to the sugar group is anti. The C-glycosidic bond torsion angle χ is anti [−121.32 (13)°]. The C—C glycosidic bond is 1.4952 (17) Å in length, while the C—F bond length is 1.3463 (16) Å.
3-Bromo-2-(2-fluorobenzyloxy)phenylboronic acid
Authors: Serwatowski Janusz , Klis Tomasz , Kacprzak Kinga
Published: April 2006

The title compound, C13H11BBrFO3, exists as an almost centrosymmetric dimer of two crystallographically independent molecules linked by hydrogen bonds. The B(OH)2 groups are slightly twisted from the plane of the benzene ring. There are intra- and intermolecular hydrogen bonds.
Acenaphtho[1,2-b]pyrazine
Authors: Thorup Niels , Eskildsen Jørgen , Christensen Jørn B.
Published: April 2006

In the crystal structure of acenaphtho[1,2-b]pyrazine (or 7,10-diazafluoranthene), C14H8N2, the molecule has crystallographic m symmetry, but the observed symmetry is very close to mm2. The structure contains dimers of face-to-face antiparallel molecules.
Potassium 4-nitrophenylsulfonate monohydrate
Authors: Blatch Alexandrea J. , Howard Judith A. K. , Probert Michael R. , Smethurst Christian A. , Whiting Andrew
Published: April 2006

The title compound, K+·C6H4NO5S−·H2O, forms a three-dimensional polymeric structure with an O8 coordination environment of the K+ cation.
3-(4-Bromobenzoyl)-N-phenyl-1,3-oxazolidin-2-imine
Authors: Kim Taek Hyeon , Jang Jung Hee , Lee Uk
Published: April 2006

The title compound, C17H15BrN2O2, was prepared by the reaction of 2-anilino-4-methyl-2-oxazoline with 4-bromobenzoyl chloride in the presence of potassium tert-butoxide at room temperature. X-ray crystallographic analysis shows that the endo-substituted product is formed.
Adamantane-1-ammonium 2-nitrobenzoate
Authors: He Yin-Hua , Wen Yi-Hang
Published: April 2006

The title compound, C17H22N2O4, was obtained by the diffusion method. Strong N—H...O hydrogen bonds generate a chain-like structure.
Poly[diaquadi-μ6-succinato-μ5-succinato-dierbium(III)]
Authors: Dong Gui-Ying , Cui Guang-Hua , Lin Jin
Published: April 2006

In the title compound, [Er2(C4H4O4)3(H2O)2]
n
, the asymmetric unit consists of two ErIII cations, three succinate anions and two coordinated water molecules. Both ErIII ions are in a tricapped trigonal–prismatic coordination environment. The Er atoms are bridged into a three-dimensional framework by succinate anions, which exhibit anti and gauche conformations with different coordination modes. The crystal structure is stabilized by O—H...O hydrogen bonds [O...O = 2.715 (8)–2.936 (8) Å].
Bis(2-aminoacetato-κ2
N,O)aquanickel(II)
Authors: Ding Yang-Jun , Sun Yu-Xi , Zhang Nian-Wei
Published: April 2006

The title compound, [Ni(C2H5NO2)2(H2O)], is a mononuclear nickel(II) complex. The NiII atom is five-coordinated by two N atoms and two O atoms from two glycinate ligands in basal plane positions, and by one O atom from a coordinated water molecule in the apical position, forming a slightly distorted square-pyramidal geometry. In the crystal structure, molecules are linked through intermolecular N—H...O and O—H...O hydrogen bonds, forming a three-dimensional network.
Trimethylammonium perchlorate at 97 K
Authors: Gotoh Kazuma , Ishikawa Rie , Ishida Hiroyuki
Published: April 2006

The crystal structure of the title compound, C3H10N+·ClO4
−, redetermined at 97 K, is isostructural with C3H10N+·BF4
− [Gotoh, Ishikawa & Ishida (2005). Acta Cryst. E61, o4016–o4017]. Both the cation and the anion lie on a mirror plane and are connected by N—H...O and C—H...O hydrogen bonds.
Hexamethylenediammonium bis(saccharinate): supramolecular assembly via hydrogen bonds
Authors: Wang Zi-Liang , Wei Lin-Heng , Li Ming-Xue , Niu Jing-Yang
Published: April 2006

The crystal structure of the title salt, C6H18N2
2+·2C7H4NO3S−, contains two crystallographically independent hexamethylenediammonium dications and two independent saccharinate anions; each of the dications occupies a special position on an inversion centre. The extensive hydrogen-bonding system, involving all six `active' H atoms, links the anions and cations into an infinite three-dimensional supramolecular assembly.
catena-Poly[[triaquazinc(II)]-μ-5-hydroxyisophthalato-κ2
O:O′]
Authors: Wang Zuo-Wei , Li Yi-Zhi , Cai Ya , Zheng He-Gen
Published: April 2006

The Zn center in the title compound, [Zn(C8H4O5)2(H2O)3]
n
, is in a slightly distorted trigonal–bipyramidal geometry. Each bidentate 5-hydroxyisophthalato ligand links two Zn centers, resulting in the formation of a chain structure.
2,8-Bis(diphenylamino)-5H-5λ6-dibenzo[b,d]thiophene 5,5-dioxide
Authors: Huang Ping-Hsin , Huang Tai-Hsiang , Shen Jiun-Yi , Wen Yuh-Sheng
Published: April 2006

In the title compound, C36H26N2O2S, the two benzene rings fused to the thiophene ring form a dihedral angle of 8.78 (8)°. In the crystal structure, there are no significant hydrogen-bonding interactions or π–π stacking interactions between molecules.
Bis(N-ethylethylenediamine-κ2
N,N′)copper(II)–hexacyanocobaltate(III)–water (3/2/4): a two-dimensional ladder structure of a bimetallic assembly
Authors: Akitsu Takashiro , Einaga Yasuaki
Published: April 2006

The title compound, poly[[tetracyano-octa-μ-cyano-hexakis(N-ethylethylenediamine)tricopper(II)dicobaltate(III)] tetrahydrate], [Cu(C4H12N2)2]3[Co(CN)6]2·4H2O or {[Cu3Co2(CN)12(C4H12N2)6]·4H2O}
n
, was crystallized from an aqueous reaction mixture containing Cu(ClO4)2, N-ethylethylenediamine and K3[Co(CN)6] in a self-assembling process. The polymeric chains are extended through –CoIII–CN–CuII– linkages involving four or two cyanide ligands of the centrosymmetric [Co(CN)6]3− complex ions, forming a two-dimensional ladder structure. The CuII atoms, one of which also lies on an inversion centre, have a distorted octahedral coordination geometry, the degree of tetragonal Jahn–Teller distortion being T = 0.785 and 0.810 (T is the ratio of mean in-plane Cu—N bond lengths to axial Cu—N bond lengths). This local Jahn–Teller distortion results from the anisotropic features of this two-dimensional cyano-bridged structure.
[3-(2-Methylphenyl)-1,2,4-oxadiazol-5-yl]methanol
Authors: Yan Xiao-Chen , Wang Hai-Bo , Liu Zhi-Qian
Published: April 2006

The crystal structure of the title compound, C10H10N2O2, is characterized by an O—H...N hydrogen bond.
Naphthalene-1,5-diammonium diiodide dihydrate
Authors: Lemmerer Andreas , Billing David G.
Published: April 2006

Naphthalene-1,5-diammonium diiodide crystallizes as the dihydrate, C10H12N2
2+·2I−·2H2O, and the crystal structure exhibits ionic layers separated by hydrocarbon layers. The naphthalene-1,5-diammonium cations in the hydrocarbon layers do not pack parallel to each other but alternate. In the ionic layer, the ammonium groups, the water molecules and the I− anions interact via hydrogen-bond bridges to form two infinite hydrogen-bonded chains.
1:1 Cocrystal of 2,5-bis(4-pyridyl)-1,3,4-oxadiazole and pyridine-2,3-dicarboxylic acid
Authors: Wang Yong-Tao , Tang Gui-Mei , Qin Xu-Yang
Published: April 2006

In the title structure, C7H5NO4·C12H8N4O, O—H...N and C—H...O hydrogen bonds link the molecules into a two-dimensional supramolecular framework.
Reinvestigation of seselin
Authors: Bauri A. K. , Foro Sabine , Lindner Hans-Jörg , Nayak Sandip K.
Published: April 2006

The crystal structure of seselin (2′,2′-dimethyl-3-pyreno[6,5:7,8]coumarin), C14H12O3, a bioactive pyrenocoumarin, has been reinvestigated. The coumarin ring system is nearly planar and the α-pyran ring adopts a distorted half-chair conformation. An intermolecular C—H...O hydrogen bond is observed.
Malabaricone A isolated from a methanol extract of Myristica malabarica
Authors: Bauri A. K. , Foro Sabine , Lindner Hans J. , Nayak S. K.
Published: April 2006

The title compound, malabaricone A [systematic name: 1-(2,6-dihydroxyphenyl)-9-phenylnonan-1-one], C21H26O3, contains two benzene rings linked through a C9 alkyl chain. Both intra- and intermolecular O—H...O hydrogen-bonding interactions stabilize the packing. The intermolecular hydrogen bonds result in the formation of an infinite zigzag chain.
[3-(4-Chlorophenyl)isoxazol-5-yl]methanol
Authors: Tang Li-Da , Zhang Da-Tong , Sun Fang-Gang , Duan Gui-Yun , Wang Jian-Wu
Published: April 2006

In the title molecule, C10H8ClNO2, the isoxazole ring shows normal values of bond lengths and angles. The mean planes of the benzene and isoxazole rings make a dihedral angle of 16.3 (2)°. Intermolecular O—H...N hydrogen bonds link the molecules into chains extended along the b axis. The crystal packing is further stablized by weak C—H...O interactions and van der Waals forces.
Hydrothermal synthesis of a copper(I) stair-like polymer: catena-poly[[bis[5-(4-bromophenyl)-2-(4-pyrimidyl)pyridine]dicopper(I)]-di-μ3-bromo]
Authors: Liu Chun-Bo , Li Bin , Che Guang-Bo , Liu Qun
Published: April 2006

In the title compound, [Cu2Br2(C16H11BrN2)2]
n
, each Cu atom displays a distorted tetrahedral coordination formed by three Br atoms and one N atom from 5-(4-bromophenyl)-2-(4-pyridinyl)pyridine. Each Br atom bridges three Cu atoms, forming a stair-like structure along the b axis.
Dimethyl [hydroxy(phenyl)methyl]phosphonate
Authors: Fang Hua , Fang Mei-Juan , Zeng Zhi-Ping , Wei Zan-Bin , Zhao Yu-Fen
Published: April 2006

The title compound, C9H13O4P, has been obtained by the reaction of dimethyl phosphite and benzaldehyde. In the crystal structure, intermolecular O—H...O hydrogen bonds link the molecules into infinite chains.
2′-(1H-Indol-3-ylmethylene)isonicotinohydrazide ethanol solvate
Authors: Jing Zuo-Liang , Cheng Wen-Wen , Chen Xin , Ming Yu
Published: April 2006

In the crystal structure of the title compound, C15H12N4O·C2H6O, molecules are linked via weak intermolecular N—H...N, O—H...O and N—H...O hydrogen bonds, forming a two-dimensional network.
A sandwich strand supramolecular complex: aquachloro(nitrilotriacetato-κ2
N,O)copper(II) 18-crown-6-ether trihydrate
Authors: Jiang Yun-Bo , Kou Hui-Zhong , Wang Ru-Ji , Cui Ai-Li
Published: April 2006

The unexpected title compound, [Cu(C6H8NO6)Cl(H2O)]·C12H24O6·3H2O, was synthesized by crystallization of a mixture containing CuCl2·2H2O, nitrilotriacetic acid (H3NTA), KOH, 18-crown-6 and GdCl3·6H2O. The complex consists of a hydrogen-bonded polymeric structure, in which discrete Cu(H2NTA)(H2O)Cl units interact via the carboxyl groups and the coordinating water molecules with the crown ether molecules. No direct metal–crown ether bond exists in the infinite sandwich-type hydrogen-bonded structure. The copper complex lies on a mirror plane, which passes through Cu and all the coordinating atoms. The crown ether molecule lies on an inversion centre. One water molecule is disordered across the mirror plane.
N-(2′,7′-Di-tert-butyl-9,9′-spirobifluoren-2-yl)aniline
Authors: Huang Ping-Hsin , Shen Jiun-Yi , Huang Tai-Hsiang , Wen Yuh-Sheng , Lu Kwa-Nan
Published: April 2006

The title compound, C39H37N, is a precursor for the production of hole-transporting and/or emitting materials. The widespread interest in high Tg
materials for optical light-emitting device (OLED) applications led us to design the syntheses of the desired compounds using the 9,9′-spirobifluorene unit as a building block.
L-Methioninamide ester amide of squaric acid diethyl ester
Authors: Kolev Tsonko , Cherneva Emiliya , Spiteller Michael , Sheldrick William S. , Mayer-Figge Heike
Published: April 2006

Molecules of the title compound, 2-(2-ethoxy-3,4-dioxocyclobutenylamino)-2-[2-(methylsulfanyl)ethyl]acetamide, C11H16N2O4S, are connected into chains in the [010] direction by intermolecular N—H...O hydrogen bonds involving the L-methioninamide N atoms and its carbonyl O atom.
(E)-1-Mercapto-1-(p-tolylsulfanyl)-N-(p-tosylmethyl) methanimine: a two-dimensional supramolecular network of S—H...O and C—H...π interactions
Authors: Kakeya Masaki , Fujihara Takashi , Nagasawa Akira
Published: April 2006

In the crystal structure of the title compound, C16H17NO2S3, the dihedral angle between the mean planes of the two benzene rings is 70.8 (1)°. There are intermolecular S—H...O and C—H...π interactions, and molecules are linked into a two-dimensional network. The layers are further linked together by weak C—H...O interactions.
2,6-Dimethylpyridinium hydrogen (2R,3R)-(+)-tartrate sesquihydrate
Authors: Wang Zi-Liang , Li Ming-Xue , Wei Lin-Heng , Wang Jing-Ping
Published: April 2006

The crystal structure of the title compound, C7H10N+·C4H5O6
−·1.5H2O, is based on a three-dimensional supramolecular framework constructed through N—H...O hydrogen bonds and weak π–π interactions.
2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol
Authors: Yang De-Suo
Published: April 2006

The molecule of the title compound, C13H10Br2N2O, is nearly planar and displays a trans configuration with respect to the central C=N double bond. In the crystal structure, the molecules are linked through intermolecular C—H...Br hydrogen bonds, forming chains running along the b axis.
Bis(N,N-dicyclohexylthiocarbamoyl) disulfide
Authors: Li Feng , Yin Han-Dong , Hong Min , Zhai Jun , Wang Da-Qi
Published: April 2006

The title compound, C26H44N2S2, was prepared by the oxidation of the corresponding thiocarbamate with iodine. The disulfide S—S distance is close to the distances observed in free (uncoordinated) disulfides. A crystallographic twofold axis passes through the mid-point of the S---S bond.
Methyl 4-(3-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Authors: Yang Bing-Jian , Li Jian-Jun , Li Zhen-Hua , Li Ping , Su Wei-Ke
Published: April 2006

The solid-state structure of the title compound, C14H16N2O4, is characterized by hydrogen-bonding interactions, linking the molecules into chains. Hydrogen-bonding interactions between neighbouring chains form a two-dimensional network.
Zinc cadmium selenocyanate
Authors: Sun Hai-Qing , Yu Wen-Tao , Yuan Duo-Rong , Wang Xin-Qiang , Liu Li-Qiang
Published: April 2006

The crystal structure of a new bimetallic selenocyanate, zinc cadmium selenocyanate or poly[tetra-μ2-selenocyanato-cadmium(II)zinc(II)], [ZnCd(SeCN)4]
n
, is an infinite three-dimensional network in which the slightly distorted CdSe4 and ZnN4 tetrahedra are connected by –SeCN– bridges. The whole structure can be viewed as a diamondoid network with Cd and Zn nodes and –SeCN– spacers.
4,6-Dibenzoylisophthalic acid acetone disolvate
Authors: Liu Shan , Ji Jin-Xiu , Wang Dan-Dan , Zhu Hong-Jun
Published: April 2006

In the crystal structure of the title compound, C22H14O6·2C3H6O, 4,6-dibenzoylisophthalic acid is linked with two acetone solvent molecules by strong intermolecular O—H...O hydrogen bonds. Weak intermolecular C—H...O hydrogen bonds may be effective in stabilizing the crystal structure.
(E,E)-1-(3-Iodophenyl)-4-(3-nitrophenyl)-2,3-diazabuta-1,3-diene
Authors: Low John N. , Skakle Janet M. S. , Wardell James L. , Glidewell Christopher
Published: April 2006

Molecules of the title compound, C14H10INO2, apparently containing a small proportion of the compound with a second nitro group replacing iodo, are disordered across centres of inversion. The molecules are linked into ordered chains by a two-centre iodo–nitro interaction and these chains are linked into sheets by C—H...O hydrogen bonds.
An independent refinement of H-atom coordinates from laboratory X-ray powder data in tetraformaltrisazine
Authors: Albov Dmitry V. , Jassem Adnan , Kuznetsov Anatoly I.
Published: April 2006

The structure of centrosymmetric tetraformaltrisazine (systematic name: 1,2,3,4,5,6,7,8-octahydro-1,2,4,5-tetrazino[1,2-a][1,2,4,5]tetrazine), C4H12N6, has been solved by simulated annealing from X-ray laboratory powder data and refined by Rietveld refinement without any restraints for non-H atoms. The coordinates of H atoms forming hydrogen bonds were refined independently. Tetraformaltrisazine can be used as a biologically active compound.
Bis(1,2,3,5-tetramethyl-4-nitropyrazolium) dihydronium tris(4-methyl-3,5-dinitrobenzenesulfonate) forms C(8) chains through O—H...O bonding via the dihydronium cation
Authors: Skakle Janet M. S. , Wardell James L.
Published: April 2006

In the title salt, 2C7H12N3O2
+·H5O2
+·3C7H5N2O7S−, strong hydrogen bonding from the donor (H5O2
+) group links to 4-methyl-3,5-dinitrobenzenesulfonate anions. The dihydronium (H5O2
+) cation could be considered intermediate between clearly distinct (H3O)+ and H2O entities and an `(H5O2)+' entity, although it tends to be closer to the former; the O...O distance is 2.434 (3) Å. Strong hydrogen bonding leads to the formation of chains along the [010] direction.
tert-Butylfluorodiphenylsilane
Authors: Bradtmöller Gerrit , Jurkschat Klaus , Schürmann Markus
Published: April 2006

In the title compound, C16H19FSi, the Si atom approximates the expected tetrahedral geometry, with an Si—F bond length of 1.6004 (10) Å.
2,4-Diphenyl-2-(trimethylsilyloxy)-3-dihydro-2H,5H-pyrano[3,2-c][1]benzopyran-5-one
Authors: Liu Yun , Shen Yong-Miao , Li Zhe , Xu Jian-Hua
Published: April 2006

In the title compound, C27H26O4Si, the coumarin ring system is essentially planar and the pyran ring adopts a half-chair conformation.
p-Phenylenediammonium tetraiodozincate(II) dihydrate
Authors: Lemmerer Andreas , Billing David G.
Published: April 2006

The title compound, (C6H10N2)[ZnI4]·2H2O, crystallizes as an organic–inorganic hybrid. The ionic layer consists of isolated ZnI4 tetrahedra. The hydrocarbon layer has two symmetry-independant centrosymmetric p-phenylenediammonium cations that link to the ionic layer via hydrogen bonding. Two water molecules of hydration lie between the anion and the two cations.
Polyfunctionalized pyridinium N-benzoylguanidine: N
2-benzoyl-N
1-(4-methylphenyl)-N
3-pyridinioguanidin-3-ide
Authors: Cunha Silvio , Vencato Ivo , Rodrigues Jr Manoel T. , Macedo Jr Fernando C. de , Sabino Jose R.
Published: April 2006

The title compound, C20H18N4O, is an example of a recently described pyridinium N-benzoylguanidine. This work represents the second structural study of this kind of compound. The structure is stabilized by C—H...π, C—H...N and C—H...O interactions.
Dipotassium heptafluorotantalate(V), β-K2TaF7, at 509 K
Authors: Langer Vratislav , Smrčok Ľubomír , Boča Miroslav
Published: April 2006

Upon heating to 509 K, monoclinic α-K2TaF7 (P21/c) transforms to orthorhombic β-K2TaF7 (Pnma) which is composed of discrete K+ cations and TaF7
2− anions. In the anion, the Ta atom is sevenfold coordinated by F atoms, with the Ta—F distance varying from 1.88 (2) to 1.965 (19) Å. The two independent K+ cations are surrounded by F atoms positioned within 2.740 (17)–2.979 (10) and 2.989 (17)–3.15 (5) Å. Ta, both K and one of the four F atoms are located on a mirror plane, Wyckoff position 4c.
(±)-1-Hydroxy-6,6-dimethyl-1H,6H-naphtho[1,2-c]furan-3,9-trione
Authors: Henderson Luke C. , Loughlin Wendy A. , Jenkins Ian D. , Healy Peter C.
Published: April 2006

The title compound, C14H12O4, crystallizes as discrete molecular species which form hydroxy-to-ketone hydrogen-bonded dimers disposed about crystallographic centres of symmetry.
3-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Authors: Patil P. S. , Ng Shea-Lin , Razak Ibrahim Abdul , Fun Hoong-Kun , Dharmaprakash S. M.
Published: April 2006

In the title compound, C15H9Cl13O, the enone unit and the benzene rings are each planar. The molecules are linked via weak C—H...Cl interactions into wave-like chains along the a axis and are stacked parallel to the b axis.
3-(4-Bromophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Authors: Rosli Mohd Mustaqim , Patil P. S. , Fun Hoong-Kun , Razak Ibrahim Abdul , Dharmaprakash S. M.
Published: April 2006

In the title compound, C15H10BrNO3, the molecules are arranged into infinite chains through Br...O short interactions. The chains are stacked to form layers. These layers are interconnected by C—H...O interactions. There are two molecules in the asymmetric unit.
{2,6-Bis[(4R)-4-ethoxyoxazolin-2-yl]pyridine}dichloromanganese(II)
Authors: Li Jian-Ping , Zhao Jian-She
Published: April 2006

The title compound, [MnCl2(C15H19N3O2)], was synthesized from the chiral ligand (R,R)-et-pybox {(R,R)-et-pybox is 2,6-bis[(4R)-4-ethoxyoxazolin-2-yl]pyridine}. The complex is mononuclear and its Mn atom has a distorted trigonal–bipyramidal coordination environment. In the complex, (R,R)-et-pybox is coordinated in a tridentate fashion to the Mn atom via three N atoms, having a pybox–cation ratio of 1:1.
3-(2-Furyl)-1-phenylprop-2-en-1-one 2,4-dinitrophenylhydrazone
Authors: Qian Heng-Yu , Liu Cheng , Yin Zhi-Gang
Published: April 2006

In the title compound, C19H14N4O5, the dinitrophenylhydrazone and furylidene groups are nearly coplanar, making a dihedral angle of 4.50 (10)°. There is an intramolecular N—H...O hydrogen bond, while weak intermolecular C—H...O hydrogen bonds link the molecules into pseudo-dimers arranged around inversion centers.
Bis(diphenylphosphinato-κO)bis(diphenylphosphinic acid-κO)bis(pyridine-κN)mercury(II)
Authors: Siqueira Márcia R. , Ellena Javier , Burrow Robert A.
Published: April 2006

In the centrosymmetric molecule of the title compound, [Hg(C12H10O2P)2(C5H5N)2(C12H11O2P)2], the approximately octahedral Hg atom is coordinated by two each of phenylphosphinate, phosphinic acid and pyridine ligands. Each pair of phosphinic acid and phosphinate ligands features an intramolecular hydrogen bond, so forming an eight-membered ring.
Bis[2-(dimethylamino)ethanol-κ2
N,O](2,4-pentanedionato-κ2
O,O′)nickel(II) acetate
Authors: Muhammad Sultan , Mazhar Muhammad , Zeller Matthias , Hunter Allen D.
Published: April 2006

The Ni atom in the title complex, [Ni(C5H7O2)(C4H11NO)2](C2H3O2), has distorted octahedral coordination. The O atoms of the acetate ion are hydrogen bonded to the OH groups of the 2-(dimethylamino)ethanol ligands.
(5RS,6RS)-5,6-Di-tert-butyl-2,2,9,9-tetramethyldecane-3,8-dione
Authors: Mlynek Cornelia , Hopf Henning , Jones Peter G.
Published: April 2006

The title compound, C22H42O2, displays approximate twofold symmetry. The elongated central single bond [1.563 (3) Å] and widened angles [116.00 (16) and 115.80 (16)°] at the methylene C atoms are probably indicators of steric strain. Molecules are linked in inversion-symmetric pairs by a bifurcated weak hydrogen-bond system of the form (C—H)2...O.
Bis(1H-benzimidazole-κN
3)bis(4-hydroxybenzoato-κO)zinc(II) 0.25-hydrate
Authors: Zheng Yan , Yang Qian , Xu Duan-Jun
Published: April 2006

In the title compound, [Zn(C7H5O3)2(C7H6N2)2]·0.25H2O, the ZnII atom is coordinated by two 4-hydroxybenzoate anions and two benzimidazole (bzim) molecules, resulting in a distorted ZnO2N2 tetrahedral geometry. The short face-to-face distance of 3.28 (4) Å between parallel partially overlapped bzim ligands of neighboring molecules indicates the existence of π–π stacking in the crystal structure.
4-Chloropyridine-3-sulfonic acid
Authors: Mao Xin-Biao , Li Tie-Han , Ma Chun-An , Song Qing-Bao
Published: April 2006

The title compound, C5H4ClNO3S, was obtained by hydrolysis of 4-chloropyridine-3-sulfonamide in dilute hydrochloric acid. In the crystal structure, one-dimensional chains are formed via N—H...O hydrogen bonds. In addition, weak C—H...Cl hydrogen bonds link these chains into a two-dimensional network
2-Phenyl-N-(p-tolylsulfonyl)aziridine
Authors: Zhu Jie , Zhang Ming-Jie , Liu Qing-Wei , Pan Zhao-Hui
Published: April 2006

The title compound, C15H15NO2S, is an aziridination product of styrene formed using chloramine-T as a substrate. In the molecule, the aziridine ring is nearly perpendicular to the adjacent aromatic ring.
Bis(4′-phenyl-2,2′:6′,2′′-terpyridine-κ3
N,N′,N′′)copper(II) bis(tetrafluoroborate)
Authors: Toscano Rubén A. , Martínez-Vargas Sergio , Valdés-Martínez Jesús
Published: April 2006

The 4-phenylterpyridine ligand coordinates to the CuII ion in the title compound, [Cu(C21H15N3)2](BF4)2, as an N,N′,N′′-terdentate meridional ligand. The geometry of the Cu atom in the cation is octahedral. The BF4
− anions are disordered.
Bis{4-[(4-pyridyl)ethenyl]pyridinium} 4-sulfonatobenzoate trihydrate
Authors: Zhang Li-Ping , Zhu Long-Guan
Published: April 2006

In the crystal structure of the title organic proton-transfer complex, 2C12H11N2
+·C7H4O5S2−·3H2O, the cations form one-dimensional chains via intermolecular N—H...N hydrogen bonds and these chains, in turn, form a two-dimensional network through π–π stacking interactions. In addition, the anions and water molecules are connected into a two-dimensional hydrogen-bonded network through intermolecular O—H...O hydrogen bonds. The two motifs result in sheets of cations and anions stacked alternately.
Undecacarbonyl(pyridine-κN)-tetrahedro-tetrairidium(4Ir—Ir)
Authors: Pardey Alvaro J. , Moreno Manoa A. , Lutz Matthias , Haukka Matti , Atencio Reinaldo
Published: April 2006

The title compound, [Ir4(C5H5N)(CO)11], shows a tetrahedral Ir4 core in which each Ir atom is linked to three other Ir atoms and three terminal carbonyl groups, except for one Ir atom, which carries two carbonyl ligands and one N-coordinated pyridine molecule. An intricate set of C—H...π hydrogen bonds stabilizes the crystal packing, where the π-systems are those of the C[triple-bond]O bonds of the carbonyl ligands.
{2-[2-(1H-1,3-Benzimidazol-2-yl)ethyliminomethyl]-2,4-dibromophenolato}(1,10-phenanthroline)copper(II) tetrafluoroborate
Authors: Qiu Xiao-Hang , Zhao Jun , Tong Xiao-Lan
Published: April 2006

In the title compound, [Cu(C18H12Br2N3O)(C10H8N2)]BF4, the Cu atom is pentacoordinated by three atoms, viz. N, N and O of the tridentate 2-[2-(1H-1,3-benzimidazol-2-yl)ethyliminomethyl]-2,4-dibromophenolate ligand and two N atoms of the 1,10-phenanthroline ligand. The Cu coordination geometry is highly distorted trigonal bipyramidal, with Cu—O and Cu—N bond lengths of 1.916 (3) and 1.954 (4)–2.212 (4) Å, respectively. The axial positions are occupied by two N atoms which form an N—Cu—N angle of 170.29 (16)°.
1,6-Bis(4-chlorophenyl)-8-(4-pyridyl)-3,4-dihydropyrrolo[1,2-a]pyrazine
Authors: Qiu Xiao-Yang , Liu Wei-Sheng , Zhu Hai-Liang , Ma Ji-Long
Published: April 2006

In the crystal struture of the title compound, C24H17Cl2N3, the two benzene rings and the pyridyl group lie in a propeller arrangement around the central ring system, thereby minimizing steric effects among these rings.
N-[(R)-1-(2-Hydroxy-3,5-dimethylphenyl)ethyl]-N-[(R)-2-methyl-1-phenylpropyl]ammonium chloride
Authors: Zhang Guang-You , Zhao Jin-Yan , Wang Xiang-Bo , Wang Wan-Hui
Published: April 2006

2,4-Dimethyl-6-[(1R)-1-{[(1R)-2-methyl-1-phenylpropyl]amino}ethyl]phenol, (I), has been synthesized and its absolute configuration has been determined by reference to the crystal structure of the title compound, C20H28NO+·Cl−, (II), the hydrochloride of (I). The new stereogenic centre (the C atom adjacent to the N atom on the phenol side) was unambiguously determined to have an R configuration.
2,3-Dimethoxy-10-oxostrychnidinium 3-carboxybenzoate trihydrate: the 1:1 proton-transfer compound of brucine with isophthalic acid
Authors: Smith Graham , Wermuth Urs D. , Young David J. , White Jonathan M.
Published: April 2006

The structure of the title, compound C23H27N2O4
+·C8H5O4
−·3H2O, has been determined at 130 K. The hydrogen isophthalate anions and the water molecules (one of which is disordered over two approximately equal sites) associate through extensive hydrogen-bonded interactions, including those with the common undulating brucinium cation layer substructures, forming a three-dimensional framework structure.
Azido{4-bromo-2-[(2-diethylaminoethylimino)methyl]phenolato}nickel(II)
Authors: You Zhong-Lu , Han Xiao , Wang Jia , Niu Shu-Yun
Published: April 2006

The title mononuclear nickel(II) complex, [Ni(C13H18BrN2O)N3], contains two molecules in the asymmetric unit. Each NiII atom is four-coordinated by one phenolate O atom, one imine N atom and one amine N atom from a Schiff base ligand, and by one terminal N atom of an azide anion, forming a square-planar coordination. In the crystal structure, adjacent molecules are linked through C—H...N interactions, forming chains along the a axis.
3-(2,4-Dichloro-5-isopropyloxyphenyl)-5-tert-butyl-1,3,4-oxadiazol-2-one
Authors: Zhang Guo-Lin
Published: April 2006

The title compound, C15H18Cl2N2O3, is an effective herbicide. The oxadiazolone ring is not coplanar with the benzene ring. Pairs of molecules form centrosymmetric dimers via weak C—H...O hydrogen bonds.
2,6-Di-tert-butyl-4-[(4-methoxyphenylimino)methyl]phenol
Authors: Xin Chun-Wei , Zeng Tao , Li Jiang-Sheng
Published: April 2006

The title compound, C22H29NO2, was prepared from 3,5-di-tert-butyl-4-hydroxybenzaldehyde and 4-methoxyaniline by an indirect reductive amination process. Intermolecular O—H...N hydrogen bonds seem to be effective in the stabilization of the crystal structure.
5,9,14-Trimethyl-4,12-dioxatricyclo[9.3.0.03,5]tetradeca-1(11),8,13-trien-2-one (zederone)
Authors: Chan Kam Seng , Zakaria Zuriati , Malek Sri N. A. , Yamin Bohari M.
Published: April 2006

In the title compound, C15H18O3, the epoxy and furyl rings are planar and inclined to each other by 44.84 (17)°. The α,β-carbonyl system has S-cis conformation and both methyl groups in the ten-membered ring are in axial positions. The molecule is stabilized by van der Waals interactions.
Tetraaquabis(pyridine-κN)cobalt(II) diacetate
Authors: Clegg Jack K. , Hayter Michael J. , Jolliffe Katrina A. , Lindoy Leonard F.
Published: April 2006

In the title complex, [Co(C5H5N)2(H2O)4](C2H3O2)2, the octahedral cation is hydrogen bonded to the acetate anions via the coordinated water molecules. The cation and anions lie on a crystallographic mirror plane.
Methyl β-N-phenylmethylenedithiocarbazate
Authors: Shan Shang , Zhang Yan-Ling , Xu Duan-Jun
Published: April 2006

Crystals of the title compound, C9H10N2S2, were obtained from a condensation reaction of methyl dithiocarbazate and benzaldehyde. The planar dithiocarbazate unit is tilted with respect to the phenyl plane with a dihedral angle of 10.96 (12)°. Intermolecular N—H...S hydrogen bonding stabilizes the crystal structure. A C—H...π interaction is also observed in the crystal structure.
Sulfathiazolium nitrate monohydrate
Authors: Banu Afroza , Hossain G. M. Golzar
Published: April 2006

The title compound, C9H10N3O2S2
+·NO3
−·H2O, was obtained from a solution of sulfathiazole in dilute nitric acid at room temperature. The crystal structure is stabilized by a network of hydrogen bonds and van der Waals interactions.
(E,E)-1,4-Bis(2-iodophenyl)-2,3-diaza-1,3-butadiene
Authors: Wardell James L. , Low John N. , Glidewell Christopher
Published: April 2006

The molecules of the title compound C14H10I2N2, which are almost planar, lie across centres of inversion. The structure contains no direction-specific intermolecular interactions of any kind.
A new polymorph of (dimethyl 5,6,7,8,15,16-hexahydro-6,7-dioxo-5,8,14,17-tetraazadibenzo[a,g]cyclotetradecine-13,18-dicarboxylato-κ4
N)nickel(II)
Authors: Li Chang-Qing , Zhu Li-Na , Li Xiao-Zeng , Li Rong
Published: April 2006

A new polymorph of the title complex, [Ni(C22H18N4O6)], has been synthesized and structurally characterized. Ni(II) is coordinated by the four nitrogen donors of the macrocyclic ligand with a distorted square-planar geometry. C—H...O hydrogen bonds and π...π stacking interactions link the complex molecules, forming an infinite three-dimensional supramolecular network.
1,4-Diacetylbenzene
Authors: Liu Shan , Wu Zhen-Yi , Shan Ning , Wang Dan-Dan , Zhu Hong-Jun
Published: April 2006

The asymmetric unit of the title compound, C10H10O2, contains two half-molecules, each molecules being located on a centre of inversion. The dihedral angle between the planes of the two independent molecules is 39.67 (4)°.
2-Bromo-1-chlorophenyl-3-(4-methoxyphenyl)prop-2-en-1-one
Authors: Harrison William T. A. , Yathirajan H. S. , Sarojini B. K. , Narayana B. , Vijaya Raj K. K.
Published: April 2006

The geometrical parameters for the title compound, C16H12BrClO2, are normal. The observed bond lengths and angles imply that there is little electronic conjugation between the two benzene ring systems. An intramolecular C—H...Br interaction may help to establish the molecular conformation. The crystal packing results in a centrosymmetric structure.
The one-dimensional chain structure of [Cu(en)2Pt(CN)4] (en is ethylenediamine)
Authors: Akitsu Takashiro , Einaga Yasuaki
Published: April 2006

The title compound, catena-poly[di-μ-cyano-1:2κ2
C:N;1:2′κ2
C:N-dicyano-1-κ2
C-bis(ethylenediamine-2κ2
N,N′)platinum(II)copper(II)], [CuPt(CN)4(C2H8N2)2]
n
, (I), consists of one-dimensional chains running along the [111] direction. Both Cu and Pt atoms are located on centres of symmetry in an alternating array of [Cu(en)2]2+ (en is ethylenediamine) and [Pt(CN)4]2− units. The Pt—C coordination bond distances of 1.985 (4) and 1.995 (4) Å are longer than those of an analogous NiII complex. Moreover, due to Jahn–Teller distortion, the axial Cu—N bond distance of 2.562 (5) Å is longer than the equatorial ones of 2.014 (4) and 2.017 (4) Å.
[N,N-Diethyl-N′-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)
Authors: You Zhong-Lu , Wang Jia , Han Xiao
Published: April 2006

The title compound, [Cu(NCS)2(C12H19N3)], is a mononuclear copper(II) complex. The CuII ion is five-coordinated in a square-pyramidal configuration by three N atoms of the Schiff base ligand, and by two terminal N atoms from two thiocyanate anions.
catena-Poly[[(2,2′-diquinolyl-κ2
N,N′)zinc(II)]-μ-isophthalato-κ2
O:O′]
Authors: Ao Wen-Jiang , Li Zhao-Hui , Wang Xu-Xu , Fu Xian-Zhi
Published: April 2006

In the title complex, [Zn(C8H4O4)(C18H12N2)]
n
, isophthalate (ipa) acts as a bis-monodentate ligand, forming a one-dimensional helical chain. A significant π–π stacking interaction helps to pack adjacent chains into a molecular zipper. The Zn atom is coordinated by two N and two O atoms in a distorted tetrahedral geometry.
2-Amino-4-(4-methoxyphenyl)-1,3-thiazole
Authors: Hökelek Tuncer , Seferoğlu Zeynel , Ertan Nermin
Published: April 2006

The molecule of the title compound, C10H10N2OS, is not planar, with a dihedral angle of 14.8 (2)° between the planes of the benzene and thiazole rings. Molecules are linked by intermolecular N—H...O and N—H...N hydrogen bonds between the amino H atoms and O and N atoms of the methoxy group and thiazole ring, respectively, forming an infinite chain.
2-Acetyl-3-methyl-4H-1,4-benzothiazine: a redetermination at 100 K
Authors: Kara Hülya , Kara Derya , Aşkun Tülin , Yahşi Yasemin , Büyükgüngör Orhan
Published: April 2006

The structure of the title compound, C11H11NOS, has been reported previously at room temperature by Ferguson & Ruhl [Cryst. Struct. Commun. (1982), 11, 1033–1038]. We report here a redetermination, at 100 (2) K, with improved precision. The structure displays N—H...O hydrogen bonding.
(2-Methyldithiobenzoato-κS)(triphenylphosphine-κO)gold(I)
Authors: Macalindong Jennifer S. , Fronczek Frank R. , Schuerman Judith A. , Selbin Joel , Watkins Steven F.
Published: April 2006

The asymmetric unit of the title compound, o-CH3(C6H4)C(S)S–Au–P(C6H5)3 or [Au(C8H7S2)(C18H15P)], consists of two quasi-linear gold complexes. The S—Au—P bond angles [173.83 (2), 175.03 (2)°], S—Au bond lengths [2.3240 (6), 2.3329 (6) Å] and Au—P bond lengths [2.2568 (6), 2.2632 (6) Å] are consistent with previously reported values. The major difference in the two molecules is that the o-methylphenyl rings are twisted with respect to the dithiocarboxyl planes by 73.0 (3)° and 46.6 (3)°, as measured by S—C—C—C torsion angles.
trans-2-Benzoyl-1-phenylindan
Authors: Vega Daniel R. , Mufato Jorge D. , Aguirre Jose M. , Alesso Elba N. , Lantaño B.
Published: April 2006

The title compound, C22H18O, was obtained as a single product from a stereoselective reaction. The five-membered ring adopts an envelope conformation. Two intramolecular C—H...O interactions stabilize the molecular conformation. An intermolecular C—H...O interaction generates chains of molecules running along the b axis.
Diacetato[2,6-bis(2-pyridylamino)pyridine]nickel(II)
Authors: Liu Yin-Qiu , Zeng Xi-Rui , Kuang Han-Mao , Chen Hua-Long , Luo Qiu-Yan
Published: April 2006

The Ni atom in the title complex, [Ni(C2H3O2)2(C15H13N5)] or [Ni(CH3COO)2(tpdaH2)] (tpdaH2 is tripyridyldiamine), has a distorted octahedral coordination geometry formed by the tridentate tpdaH2 ligand and two acetate groups. The tpdaH2 ligand is mer-coordinated, with the N atom of the central pyridine ring in the equatorial position and the N atoms of the peripheral pyridine rings in the axial positions. The remaining three equatorial positions are occupied by the O atoms of two acetate anions. The H atoms of both NH groups of the tpdaH2 ligand are involved in strong hydrogen bonds with O atoms of adjacent complex molecules to form a three-dimensional network.
6,7-Dimethoxy-1-(4-methoxyphenyl)isochroman
Authors: Saeed Aamer , Flörke Ulrich
Published: April 2006

In the title compound, C18H20O4, a rare example of a crystallographically characterized 6,7-dimethoxyisochroman, the packing is determined by intermolecular C(methyl)–H...O(pyran) hydrogen bonds.
catena-Poly[cadmium(II)-di-μ-N-oxopyridine-2-thiolato]
Authors: Wang Xiu-Jian , Gui Liu-Chen , Shen Zhong-Su , Ni Qing-Ling , Zeng Jian-Qiang
Published: April 2006

In the title complex, [Cd(C5H4NOS)2]
n
, (I), the Cd atom is located on an inversion center and is coordinated by two S [Cd—S = 2.5225 (6) Å] and four O [Cd—O = 2.3931 (16) and 2.5543 (17) Å] atoms in a distorted octahedral geometry. Two N-oxopyridine-2-thiolate (PySO) ligands chelate the Cd atom to occupy four sites of the equatorial plane, while two O atoms from another two PySO ligands occupy the axial sites. PySO acts as a bridging chelating ligand (S-μ2-O), connecting adjacent Cd atoms to form a polymeric chain.