bluuebunny/crossref_metadata_2025 huggingface dataset:
3-(2-Anilino-1,3-thiazol-4-yl)-2H-chromen-2-one
Authors: Chopra Deepak , Venugopala K. N. , Jayashree B. S. , Guru Row T. N.
Published: July 2006

The crystal structure of the title compound, C19H13BrN2O2S, contains two molecules (A and B) in the asymmetric unit. The planar coumarin systems make dihedral angles of 5.47 (1) and 6.42 (1)° with the thiazole rings in the two unique molecules. The structure is stabilized by intermolecular N—H...N, N—H...O, C—H...O and C—H...π hydrogen bonds and aromatic stacking interactions; intramolecular C—H...O hydrogen bonds also influence the molecular conformation.
1-(2,4-Dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Authors: Patil P. S. , Rosli Mohd Mustaqim , Fun Hoong-Kun , Razak Ibrahim Abdul , Dharmaprakash S. M.
Published: July 2006

In the title compound, C17H14Cl2O3, the dihedral angle between the benzene rings is 45.42 (15)°. In the crystal structure, molecules form layers parallel to the bc plane, and these are stabilized by intermolecular C—H...O hydrogen bonds and by π–π interactions between the benzene rings with a centroid–centroid distance of 3.848 Å.
Tetragonal polymorph of the 1:1 adduct of sulfathiazole with pyridine
Authors: Drebushchak Tatiana N. , Mikhailenko Mikhail A. , Boldyreva Elena V. , Shakhtshneider Tatyana P.
Published: July 2006

The title tetragonal polymorph is one of the two sulfathiazole–pyridine adducts, C9H9N3O2S2·C5H5N, that can be formed either by crystallization from an n-propanol–pyridine solution, or by exposure of solid sulfathiazole to pyridine vapour. The asymmetric unit consists of a hydrogen-bonded sulfathiazole–pyridine pair. Hydrogen bonds of the form Naniline—H...Osulfonyl form a three-dimensional network. Pyridine molecules linked to sulfathiazole molecules by Namino—H...Npyridine hydrogen bonds are located in the channels of the sulfathiazole framework which extend along the 41 axis. The angle between neighbouring pyridine rings in the channels is 55.2 (3)°. The adduct is stable in pyridine vapour, but decomposes in air under ambient conditions, giving the metastable polymorph I of sulfathiazole [Kruger & Gafner (1972). Acta Cryst. B28, 272–283].
(Malonato-κ2
O,O′)(1,10-phenanthroline-κ2
N,N′)palladium(II)
Authors: Okabe Nobuo , Muranishi Yasunori , Odoko Mamiko
Published: July 2006

In the title complex, [Pd(C3H2O4)(C12H8N2)], the PdII center has a distorted cis-square-planar geometry defined by an O,O′-bidentate malonate ligand and a chelating 1,10-phenanthroline ligand. The crystal structure is stabilized by intermolecular π–π stacking interactions between pairs of 1,10-phenanthroline rings, as well as C—H...O hydrogen bonding.
Conformational axial chirality of phenyl N-[2-(acetylamino)biphenyl-4-yl]carbamate
Authors: Molčanov Krešimir , Radić Stojković Marijana , Piantanida Ivo , Žinić Mladen
Published: July 2006

The crystal structure of the title compound, C21H18N2O3, reveals an interesting case of axial conformational chirality. Due to the symmetry requirements of the space group (P21/n), conformational stereoisomers of both P and M helicity are present.
Bis[2-(2-methylphenylimino)phenyl]mercury(II)
Authors: Flower Kevin R. , Pritchard Robin G.
Published: July 2006

The structure of the cyclomercurated 2-phenyliminophenyl title compound, [Hg(C14H12N)2], shows that the mercury coordination is essentially square planar
2-Amino-5-(p-nitrophenylsulfonyl)-1,3-thiazole
Authors: Seferoğlu Zeynel , Hökelek Tuncer , Şahin Ertan , Nuralın Fatma
Published: July 2006

In the molecule of the title compound, C9H7N3O4S2, the thiazole ring is oriented with respect to the benzene ring at a dihedral angle of 67.85 (5)°. 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 sulfonyl group and thiazole ring, respectively, forming infinite sheets.
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-1-(4-chlorobenzoyl)ethyl 2,4-dichlorobenzoate
Authors: Wan Jun , Li Xue-Mei , Peng Zheng-Zhong , Ouyang Ping-Kai , Zhang Shu-Sheng
Published: July 2006

In the title compound, C22H14Cl3N3O3, molecules are linked into two-dimensional layers in the ab plane by C—H...N and C—H...Cl hydrogen bonds. The packing is further stabilized by π–π interactions. There are two molecules in the asymmetric unit.
N-(3,5-Dinitrobenzoyl)-N′-phenylhydrazine: sheets built from N—H...O and C—H...O hydrogen bonds
Authors: Wardell Solange M. S. V. , Souza Marcus V. N. de , Wardell James L. , Low John N. , Glidewell Christopher
Published: July 2006

Molecules of the title compound, C13H10N4O5, are linked into sheets by a combination of two N—H...O hydrogen bonds and one C—H...O hydrogen bond.
2-[(E)-2-(4-Methoxyphenyl)ethenyl]-1-methylquinolinium 4-bromobenzenesulfonate
Authors: Fun Hoong-Kun , Rodwatcharapiban Pinanong , Jindawong Boonwasana , Chantrapromma Suchada
Published: July 2006

In the title compound C19H18NO+·C6H4BrSO3
−, the cation is almost planar. The benzene ring of the anion makes dihedral angles of 84.23 (12) and 84.59 (15)°, respectively, with the quinolinium group and the benzene ring of the cation. The cations and anions are arranged in an alternating one-dimensional chain along the b axis, and these chains are interconnected through C—H...O and C—H...Br interactions to form a three-dimensional network. C—H...π interactions are also observed in the crystal structure.
trans-Bis{2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine-κN
7}platinum(II) dimethylformamide disolvate
Authors: Trávníček Zdeněk , Marek Jaromír , Szüčová Lucie
Published: July 2006

The title complex, trans-[PtIICl2(C15H16ClN5O)2]·2C3H7NO, is centrosymmetric, with square-planar coordination of the Pt atom within a trans-Cl2N2 donor set. The complex is connected through O—H...O hydrogen bonds to two dimethylformamide solvent molecules. The complex is the first structural example of a PtII complex involving two coordinated cyclin-dependent kinase inhibitors, viz. 2-chloro-6-[(3-hydroxybenzyl)amino]-9-isopropylpurine.
cis-(2,2′-Bipyridyl)dichloromanganese(II)–thiourea (1/1)
Authors: Choudhury Somnath Ray , Dutta Amitava , Mukhopadhyay Subrata , Lu Li-Ping , Zhu Miao-Li
Published: July 2006

In the title compound, [MnCl2(C10H8N2)2]·SC(NH2)2, the MnII atom is coordinated by four N atoms from two 2,2′-bipyridyl ligands and two Cl− anions, resulting in a distorted cis-MnCl2N4 octahedral geometry. The complexes and thiourea molecules are connected by N—H...Cl and N—H...S hydrogen bonds, leading to one-dimensional tapes which are further organized into a three-dimensional structure through π–π, C—H...π and C—H...Cl interactions.
The inner salt 4-carboxy-2-(pyridinium-4-yl)-1H-imidazole-5-carboxylate monohydrate
Authors: Sun Ting , Ma Jian-Ping , Huang Ru-Qi , Dong Yu-Bin
Published: July 2006

In the title compound, C10H7N3O4·H2O, one carboxyl group is deprotonated and the pyridyl group is protonated. The inner salt molecule has a planar structure, apart from the carboxylic acid group, which is tilted from the imidazole plane by a small dihedral angle of 7.3 (3)°.
2-(4-Methoxyphenyl)-1H-benzimidazole
Authors: Moreno-Diaz Hermenegilda , Navarrete-Vázquez Gabriel , Estrada-Soto Samuel , Tlahuext Hugo
Published: July 2006

In the title compound, C14H12N2O, the dihedral angle between the benzimidazole ring system and the 4-methoxyphenyl substituent is 34.12 (6)°. The molecules are linked by intermolecular N—H...N hydrogen bonds, forming chains running along the c axis.
Acetone 3-nitrophenylhydrazone, redetermined at 120 K: sheets built from N—H...O, C—H...O and C—H...N hydrogen bonds
Authors: Wardell Solange M. S. V. , de Souza Marcus V. N. , Wardell James L. , Low John N. , Glidewell Christopher
Published: July 2006

Molecules of the title compound, C9H11N3O2, are linked into sheets by a combination of N—H...O, C—H...O and C—H...N hydrogen bonds.
Tetrakis(methylammonium) benzene-1,2,4,5-tetracarboxylate dihydrate
Authors: Ejsmont Krzysztof , Zaleski Jacek
Published: July 2006

In the title compound, 4CH6N+·C10H2O8
4−·2H2O, the complete C10H2O8
4− anion is generated by inversion; one of the unique carboxylate groups is almost coplanar with the benzene ring, perhaps as the result of intramolecular C—H...O interactions, and the other is almost perpendicular. A network of O—H...O and N—H...O hydrogen bonds helps to consolidate the crystal packing.
2,5-Dimethyl-3,4-bis(methylsulfanyl)benzo[1,2-b:4,3-b′]difuran
Authors: Choi Hong Dae , Jang Ji Bong , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: July 2006

In the molecule of the title compound, C14H14O2S2, the benzo[1,2-b:4,3-b′]difuran group is nearly planar. The molecule possesses a twofold rotation axis. The crystal structure is stabilized by aromatic π–π stacking and –CH2—H...π interactions.
4-Amino-6-chloro-8-p-tolylpteridin-7(8H)-one dichloromethane hemisolvate
Authors: Duan Chong-Gang , Jia Jiong , Wang Jian-Wu
Published: July 2006

The title compound, C13H10ClN5O·0.5CH2Cl2, crystallizes with two independent 4-amino-6-chloro-8-p-tolylpteridin-7(8H)-one molecules and one dichloromethane molecule in the asymmetric unit. The bond lengths and angles in the molecules are within normal ranges. Intermolecular N—H...N hydrogen bonds link the two independent molecules into hydrogen-bonded dimers. The crystal packing is further stabilized by van der Waals forces.
A cocrystal of 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one and 3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one (0.95:0.05)
Authors: Ng Shea-Lin , Razak Ibrahim Abdul , Fun Hoong-Kun , Patil P. S. , Dharmaprakash S. M. , Shettigar Venkataraya
Published: July 2006

In the title cocrystal, 1-(4-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one–3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-chlorophenyl)prop-2-en-1-one (19/1), 0.95C18H17ClO4·0.05C17H14Cl2O3, the crystal packing is stabilized by weak intermolecular C—H...O and π–π interactions.
4-Amino-6-phenyl-3-thioxo-2,3-dihydro-1,2,4-triazin-5(4H)-one
Authors: Butcher Ray J. , Yathirajan H. S. , Anilkumar H.G. , Ashalatha B.V. , Narayana B.
Published: July 2006

The title compound C9H8N4OS, crystallizes with two molecules in the asymmetric unit. The crystal structure is stabilized by intermolecular hydrogen bonds between the protonated N atom of the triazine ring and the carbonyl O atom of an adjacent triazine ring, forming chains running parallel to the a axis.
3,3,4,4,5,5-Hexafluoro-1,2-bis[5-(3-methoxyphenyl)-3-methyl-2-thienyl]cyclopent-1-ene
Authors: Yang Tian-She , Xu Chun-Yan , Tu Yuan-Ming , Pu Shou-Zhi
Published: July 2006

The title compound, C29H28F6O2S2, a new symmetrical photochromic dithienylethene with 3-methoxyphenyl substituents, may have applications in optoelectronic devices. In the crystal structure, the molecule adopts a photo-active antiparallel conformation. The distance between the two reactive thiophene ring C atoms is 3.490 (5) Å.
4,4′-Oxydibenzaldehyde
Authors: Xu Wen-Qing , Gao Wen-Yuan , Xing Mei
Published: July 2006

The two aromatic rings in the title compound, C14H10O3, are approximately perpendicular to each other. One of the aldehyde groups in the title molecule is disordered over two sites with occupancies 0.80 (2) and 0.20 (2).
N-(3-Nitrophenyl)maleimide
Authors: Moreno-Fuquen Rodolfo , Valencia Hoover , Pardo Zulay Diney , D'Vries Richard , Kennedy Alan R.
Published: July 2006

The title compound, C10H6N2O4, belongs to a series of N-arylmaleimides, which can be used as photoinitiators for free-radical polymerization. The dihedral angles between the planes of the benzene and imide rings are 56.2 (1) and 52.9 (1)° in the two independent molecules in the asymmetric unit.
3-[4-(3-Aminopropyl)piperazin-1-yl]propan-1-aminium chloride
Authors: Vaqueiro Paz
Published: July 2006

The title compound, C10H25N4
+·Cl−, contains monoprotonated amine cations and chloride anions. The cations form chains along the [101] direction via N—H...N bonds, while N—H...Cl hydrogen bonds link the anions and cations into a three-dimensional structure.
N,N′-Bis(2,6-dimethylphenyl)-2-methyl-1-(trimethylsilyl)ethane-1,2-diimine
Authors: Loroño-González D. J.
Published: July 2006

The dimerization of 2,6-dimethylphenyl isocyanide by a double insertion of 2,6-dimethylphenyl isocyanide with MeLi, followed by treatment with Me3SiCl, gave the title compound, C22H30N2Si, which adopts the trans configuration with respect to the position of the 2,6-dimethylphenylamine groups about the central C—C bond. The molecule is stabilized by C—H...π interactions.
p-Tolyl 3-amino-3-N,4-O-carbonyl-2,3,6-trideoxy-1-thio-α-L-lyxo-hexopyranoside
Authors: Mendlik Matthew T. , Coleman Robert S. , Qi Guizhong , Lowary Todd L. , Ferguson Michael J.
Published: July 2006

In the title compound, C14H17NO3S, the pyranoside ring adopts a 2
S
O skew-boat conformation, owing to the presence of the fused oxazolidinone ring, which distorts the six-membered ring away from the normally observed chair form. In this conformation, each of the methyl and p-thiotolyl substituents of the pyranoside ring are oriented pseudo-equatorially.
(1,3-Benzodioxol-5-ylmethyl)ammonium 2-methoxy-5-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]bezenesulfonate monohydrate
Authors: Silva Luiz Everson da , Andrighetti-Fröhner Carla Regina , Nunes Ricardo José , Simões Cláudia Maria Oliveira , Foro Sabine
Published: July 2006

The reaction of a chalcone derivative and an arylmethylamine yields the title organic salt, C8H10NO2
+·C16H13O5S−·H2O. The 1,3-dioxolane ring exhibits an envelope conformation. The C—C—C—C torsion angle of 16.7 (7)° between the 2-methoxy-5-vinylbenzenesulfonate unit and the phenyl ring indicates the non-planarity of the system. The polar heads of the anion and cation are connected by two bifurcated N—H...O hydrogen bonds. The water molecule completes hydrophilic interactions by N—H...O hydrogen bonds with the cation and O—H...O bonds with the anion along the a axis.
4-Methyl-3H-pyrrolo[2,3-c]quinoline
Authors: Kanjana-opas Akkharawit , Panphon Somrak , Fun Hoong-Kun , Chantrapromma Suchada
Published: July 2006

The title compound, C12H10N2, is a new marine natural product which was isolated for the first time from a novel marine gliding bacterium. The asymmetric unit contains a pair of achiral molecules. Both the molecules are essentially planar and they form a dihedral angle of 83.81 (3)°. In the crystal structure, the molecules exist as N—H...N hydrogen-bonded tetramers.
2-Amino-6-methylpyridinium 2-formylbenzoate monohydrate
Authors: Büyükgüngör Orhan , Odabaşogˇlu Mustafa
Published: July 2006

The title compound, C6H9N2
+·C8H5O3
−·H2O, contains hydrogen-bonded [R
2
2(8)R
4
2(8)R
2
2(8)] motifs involving 2-amino-6-methylpyridinium and 2-carbonylbenzoate ions. These motifs are connected by three O—H...O hydrogen bonds involving two water O atoms.
(3R,5S,6R,8S,9S)-1-Azonia-9-ethyl-3-hydroxy-5-(6-methoxyquinolin-4-yl)-3-methyl-4-oxatricyclo[6.2.2.0]dodecane trifluoromethanesulfonate: insight into the sterochemistry of the cyclization mechanism
Authors: Antequera-García Gema , Norberg Bernadette , Marko Istvan E. , Wouters Johan
Published: July 2006

The analysis of the crystal structure of the title compound, C23H31N2O3
+·CF3SO3
−, allowed the determination of the relative configuration at the five stereogenic centres.
{[N-(4-Chlorophenyl)-N-methylamino]methyl}ferrocene
Authors: Wang Hong-Xing , Gao Ren-Qing , Wu Hong-Fei , Geng Feng-Ying , Yang Xiao-Li
Published: July 2006

In the title compound, [Fe(C5H5)(C13H13ClN)], the dihedral angle between the substituted cyclopentadienyl ring and the plane of the chlorophenylamino group is 77.4 (2)°.
Poly[di-μ3-chloro-μ2-1,2-di-4-pyridylethene-1:2κ2
N,N′-dicopper(I)]
Authors: Yang Li-Qing , Li Xin-Hua
Published: July 2006

The structure of the title compound, [Cu2Cl2(C12H10N2)]
n
, shows that each CuI ion is tetrahedral, being coordinated by three Cl atoms and one N atom of the 1,2-bis(4-pyridyl)ethene ligand (BPE, C12H10N2). Cl atoms and BPE molecules bridge the CuI ions to form a two-dimensional layer structure through inversion centres located at the mid-point of the Cu2Cl2 bridge and at the mid-point of the C=C double bond of the BPE ligand.
A 1:1 cocrystal of sebacic acid and 4,4′-bipyridine
Authors: Yu Bin , Wang Xiao-Qing , Wang Ru-Ji , Shen Guang-Qiu , Shen De-Zhong
Published: July 2006

The crystal structure of the title compound, C10H8N2·C10H18O4, consists of sebacic acid and 4,4′-bipyridine molecules. The sebacic acid molecule displays an extended planar structure, but the pyridine rings of the 4,4′-bipyridine molecule are twisted relative to each other, with a dihedral angle of 15.78 (7)°. The centroid-to-centroid separation of 3.6366 (11) Å indicates π–π stacking between parallel pyridine rings.
Redetermination of 3,4-dimethoxyphenylethylammonium chloride dihydrate
Authors: Shi Hao
Published: July 2006

The structure of the title compound, C10H16NO2
+·Cl−·2H2O, has been redetermined. It is stabilized by O—H...Cl, O—H...O, N—H...O and N—H...Cl hydrogen-bonding interactions, which build up an intricate three-dimensional network.
A new dinuclear ZnII compound with a 1,4-benzenedicarboxylate bridge
Authors: Che Guang-Bo
Published: July 2006

In the compound μ2-1,4-benzenedicarboxylate-κ2
O,O′-bis{aquachloro[4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol-κ2
N,N′]zinc(II)} dihydrate, [Zn2Cl2(1,4-BDC)(L)2(H2O)2]·2H2O, where 1,4-BDC is the 1,4-benzenedicarboxylate dianion, C8H4O4
2−, and L is 4-(1H-1,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)phenol, C19H12N4O, the ZnII atom is five-coordinated by two N atoms from one L ligand, one Cl− ion, an O atom from a 1,4-BDC anion and one water molecule in an approximate trigonal–bipyramidal geometry. The complete 1,4-BDC ligand is generated by inversion symmetry; it bridges two ZnII atoms to form a dinuclear complex. Neighbouring complexes interact through π–π contacts and various kinds of hydrogen bonds, leading to a two-dimensional supramolecular structure.
2-(2-Chloroacetyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Authors: Ling Yong , Xu Hao , Zou Zhi-Hong , Yao Cheng
Published: July 2006

In the molecule of the title compound, C13H16ClNO3, the N-containing ring is not planar and has a flattened boat form. Intermolecular C—H...O hydrogen bonds link the molecules to form infinite chains and may be effective in the stabilization of the crystal structure.
(3-Methyl-3-phenylcyclobutyl)(naphtho[2,1-b]furan-2-yl)methanone
Authors: Arıcı Cengiz , Kırılmış Cumhur , Koca Murat , Heinemann Frank W.
Published: July 2006

In the title compound, C24H20O2, C—H...O, C—H...π and π–π interactions result in a three-dimensional supramolecular network.
Bis(propane-1,3-diaminium) tris(pyridine-2,6-dicarboxylato-κ3
O,N,O′)cerate(III) nitrate 3.5-hydrate
Authors: Aghabozorg Hossein , Nakhjavan Bahar , Ghadermazi Mohammad , Ramezanipour Farshid
Published: July 2006

The title compound, (C3H12N2)2[Ce(C7H3NO4)3](NO3)·3.5H2O, is a nine-coordinate Ce complex obtained from a proton-transfer compound. The molecular structure contains three pyridine-2,6-dicarboxylate species as tridentate ligands and two propane-1,3-diaminium cations as counter-ions. The asymmetric unit also contains one nitrate anion and 3.5 uncoordinated water molecules. In the crystal structure, a wide range of hydrogen-bonding interactions connect the various fragments into a supramolecular structure.
Poly[diaqua-di-μ-malonato-cobalt(II)disodium(I)]
Authors: Wang Da-Qi
Published: July 2006

In the title compound, [CoNa2(C3H2O4)2(H2O)2]
n
, a heterobimetallic malonate complex, both CoII and NaI ions have distorted octahedral coordination geometries. The CoII ions are located on inversion centres and are surrounded only by carboxylate O atoms, while the NaI ions are coordinated both by water and by carboxylate O atoms. The malonate dianions show an unusual heptadentate bridging mode.
(R,S)-Methyl 3-methyl-5-oxo-1-phenylcyclohex-3-ene-1-carboxylate
Authors: Yao Li-Ying , Zhang Chen , Wang Bi-Song
Published: July 2006

The title compound, C15H16O3, has two molecules in the asymmetric unit. The cyclohex-2-enone ring has an envelope conformation in both molecules. The crystal exhibits twinning. The molecular packing in the crystal structure is determined by weak intermolecular C—H...O interactions.
1,1′-(1,4-Butanediyl)bis(tetrahydrofuranium) trifluoromethanesulfonate
Authors: Akkerman Kerstin , Beckmann Jens , Duthie Andrew
Published: July 2006

The title compound, C12H24O2
2+·2CF3O3S−, is the first bisoxonium salt for which a crystal structure is reported. The cation is located on an inversion centre and it features a nonplanar C3O+ oxonium unit where the O atom is displaced by 0.375 (2) Å from the plane of its substituents.
{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)
Authors: Hou Han-Na
Published: July 2006

The title compound, [Cu(C14H15N2O)(NCS)], is a mononuclear copper(II) complex, with two molecules in the asymmetric unit. The CuII ion is coordinated by one O and two N atoms of a Schiff base ligand, and by one N atom of a thiocyanate anion, forming a square-planar geometry.
2,4,6-Trimethylpyridine-3,5-dicarbonitrile
Authors: Wang Hong-Li , Zhang Bin , Dai Yi
Published: July 2006

The title compound, C10H9N3, is essently planar, except for the methyl H atoms. The asymmetric unit consists of two molecules. In the crystal structure, weak intramolecular C—H...N hydrogen-bonding interactions occur, linking the molecules into chains propagating along the a axis.
2,6-Dimethyl-3,7-bis(methylsulfanyl)benzo[1,2-b:4,5-b′]difuran
Authors: Choi Hong Dae , Jang Ji Bong , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: July 2006

In the centrosymmetric molecule of the title compound, C14H14O2S2, the benzo[1,2-b:4,5-b′]difuran group is almost planar. The structure is stabilized by aromatic π–π stacking and —CH2—H...π interactions.
The langbeinite type Rb2TiY(PO4)3
Authors: Gustafsson Joacim C. M. , Norberg Stefan T. , Svensson Göran
Published: July 2006

Dirubidium titanium yttrium triphosphate belongs to the langbeinite structure type with a framework of MO6 octahedra (M = Ti, Y) sharing corners with PO4 tetrahedra and vice versa, creating cages in which the Rb+ cations are located. The compound exhibits mixed Ti/Y populations in the two crystallographically independent octahedral sites of symmetry 3. More than two-thirds of the yttrium is found in one site and the remaining amount in the other; this is caused by the difference in coordination for the two sites.
4-[2-(3-Ethyl-4-methyl-2-oxo-3-pyrrolidine-1-carboxamido)ethyl]benzenesulfonamide
Authors: Li Xiang
Published: July 2006

In the title molecular structure, C16H21N3O4S, the dihedral angle between the essentially planar 2,5-dihydro-1H-pyrrole and benzene rings is 20.8 (2)°. In the crystal structure, molecules are linked by N—H...O hydrogen bonds [H...O = 2.07 (3)–2.57 (3) Å] to form a two-dimensional network.
trans-Dichloro(1,4,8,11-tetraazacyclotetradecane)cobalt(III) chloride
Authors: Ivaniková Radoslava , Svoboda Ingrid , Fuess Hartmut , Mašlejová Anna
Published: July 2006

In the structure of the title compound, [CoCl2(C10H24N4)]Cl, the CoIII atom has a six-coordinate arrangement displaying distorted octahedral coordination geometry with the four N atoms from the 1,4,8,11-tetraazacyclotetradecane ring in the equatorial plane and two chloride anions in axial positions. The Co atom is located on a centre of inversion; the two Cl ions not bonded to Co are located on special positions of site symmetry \overline{4}.
2′,7′-Di-4-pyridylspiro[cyclopropane-1,9′-fluorene] hemihydrate
Authors: Wang Zi-Xing , Lin Hai-Yao , Lu Ping
Published: July 2006

The asymmetric unit of the crystal structure of the title compound, C25H18N2·0.5H2O, contains two independent dipyridylspiro(cyclopropanefluorene) (CPF) molecules and one solvent water molecule. The two CPF molecules show significantly different dihedral angles between the pyridine rings and fluorene plane. The water molecule links with the CPF molecules via O—H...N hydrogen bonding to form a one-dimensional supramolecular chain.
2-Nitropropane-1,3-diol
Authors: Liu Sha-Sha , Ren Xiao-Hong , Zhao Shuai , Niu Hong-Mei , Xu Jian
Published: July 2006

The title molecule, C3H7NO4, adopts a nearly symmetric conformation. The crystal structure is stabilized by intermolecular O—H...O hydrogen bonds, linking the molecules to form a three-dimensional framework.
(Chloromethyl)triethylammonium chloride monohydrate
Authors: Haberecht Monika , Lerner Hans-Wolfram , Bolte Michael
Published: July 2006

The title compound, C7H17ClN+·Cl−·H2O, is composed of discrete (chloromethyl)triethylammonium cations, Cl− anions and water molecules, which are held together by O—H...Cl hydrogen bonds.
Ethyl 3-(anilinocarbonothioyl)-6-methyl-2,4-diphenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Authors: Wang Shuwen , Guo Wei-Si , Wen Li-Rong , Li Ming
Published: July 2006

The title compound, C27H27N3O2S, was obtained via a multicomponent reaction using benzaldehyde, ethyl acetoacetate, ammonium acetate and phenyl isothiocyanate. The pyrimidine ring assumes a half-boat conformation. The crystal packing is stabilized by N—H...O and N—H...S hydrogen bonds. The phenyl group of the anilinocarbonothioyl group displays some rotational disorder.
(E)-4-[4-(4-Chlorobenzyloxy)-3-ethoxybenzylideneamino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Authors: Zhang Wen-Jun , Duan Zhong-Yu , Zhao Xin
Published: July 2006

The title compound, C27H26ClN3O3, was prepared by reacting 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one and 4-(4-chlorobenzyloxy)-3-ethoxybenzaldehyde. The central ethylvanillin group makes dihedral angles of 63.00 (11), 31.83 (7) and 74.47 (8)° with the chlorobenzene ring, the pyrazolone ring and the terminal phenyl ring, respectively. Packing is stabilized by intermolecular C—H...O hydrogen bonds that form centrosymmetric dimers.
Absolute configuration of the p-nitrobenzoate ester of the cycloadduct of (S)-4-hydroxy-2-pentynoate and acetic acid 8-acetoxy-1,4-dihydro-1,4-methanonapththalen-5-yl ester
Authors: Lough Alan J. , Villeneuve Karine , Tam William
Published: July 2006

The regio- and absolute stereochemistry of the title compound, ethyl 3,6-diacetoxy-11-[1-(4- nitrobenzoyloxy)ethyl]tetracyclo[6.4.1.02,7.09,12]trideca-2,4,6,10-tetraene-10-carboxylate, C29H27O10, has been established. In the crystal structure, weak intermolecular hydrogen bonds link molecules into a three-dimensional network.
A Hofmann pyridine complex: poly[tetra-μ-cyano-dipyridinemanganese(II)nickel(II)]
Authors: Hosoya Kazumasa , Sekiya Ryo , Nishikiori Shin-ichi
Published: July 2006

The title compound, [MnNi(CN)4(C5H5N)2], has a layered structure of a two-dimensional network complex Mn(py)2Ni(CN)4, in which linkages of cyanide between the equatorial coordination sites of octahedral MnII ions (site symmetry 2/m) and those of square planar NiII ions (site symmetry 2/m) form a square mesh network. Pyridine ligands (located on mirror planes) coordinate to the axial sites of the MnII ions from both sides of the network.
1,10-Phenanthrolinium perchlorate
Authors: Shang Run-Ling , Du Lin , Sun Bai-Wang
Published: July 2006

The proton-transfer title compound, C12H9N2
+·ClO4
−, has been obtained from 1,10-phenanthroline and HClO4. In the crystal structure, the molecules stack along the a axis via hydrogen-bond interactions and van der Waals forces.
3-(4-Methylphenoxymethyl)-4-phenyl-1H-1,2,4-triazole-5(4H)-thione
Authors: Liu Hong , Zhang You-Ming , Lin Qi , Wei Tai-Bao , Lu Tong-Bu
Published: July 2006

In the crystal structure of the title compound, C16H15N3OS, intermolecular N—H...S hydrogen bonds link the molecules together as characteristic dimers, which are further stabilized by weak intermolecular benzene-ring π–π interactions along the a-axis direction.
10,11-Dihydrodibenzo[b,f]azepine-5-carbothioic S-acid
Authors: Jin Wei-Hua , Jin Can , Hong Zhi , Wang Ping
Published: July 2006

In the title molecule, C15H13NOS, the bond lengths and angles show normal values. No classical hydrogen bonds are found in the crystal packing, which is stabilized by van der Waals forces.
Bis[μ-3,3′-dimethyl-3,3′-methylenebis(2,3-dihydro-1H-imidazole)]disilver(I)(Ag—Ag) dichloride hemihydrate
Authors: Wang Da-Qi
Published: July 2006

In the title compound, [Ag2(C9H12N4)2]Cl2·0.5H2O, each AgI atom is coordinated by two C atoms of two heterocyclic carbene ligands, displaying a nearly linear geometry. The Ag—Ag separation is quite long, indicating a very weak metal–metal interaction.
(E)-Ethyl 4-chloro-2-[2-(2,6-dimethylphenyl)hydrazono]-3-oxobutanoate
Authors: Alpaslan Gökhan , Özdamar Özgür , Odabaşoğlu Mustafa , Büyükgüngör Orhan , Erdönmez Ahmet
Published: July 2006

The title compound, C14H17ClN2O3, adopts a keto–hydrazo tautomeric form stabilized by an intramolecular N—H...O hydrogen bond. The molecule is roughly planar.
A lithium complex of a bis(amido)bis(imido)silicate dianion
Authors: Copsey May C. , Balakrishna Maravanji S. , Chivers Tristram
Published: July 2006

The title compound, bis[μ3-bis(tert-butylamido)bis(tert-butylimido)silyl]di-μ3-chloro-tetratetrahydrofuranhexalithium(I), [Li6(C16H38N4Si)2Cl2(C4H8O)4], crystallizes as a dimer of two contact ion pairs linked together by two molecules of lithium chloride. The two halves of the molecule are related by a crystallographic twofold rotation axis.
2,8,12,18-Tetrabutyl-3,7,13,17-tetramethyl-5,15-bis(3-nitrophenyl)porphyrinogen methanol disolvate
Authors: Boyd Peter D. W. , Hosseini Ali , Rickard Clifton E. F.
Published: July 2006

The title compound, C52H66N6O4·2CH3OH, is a 5,15-diaryloctaalkylporphyrinogen. The molecule is centrosymmetric, with the pyrrole rings adopting a 1,2-alternate arrangement. The methanol molecules are included in the tetrapyrrole cavity through hydrogen bonding and O—H...π interactions. The molecules form chains in the crystal structure via phenyl C—H...π-pyrrole stacking.
3-(2,4-Dichlorophenyl)-N,N-diethyl-3-(4-methylphenylsulfonylamino)propanamide
Authors: Yu Zhifang , Zhao Zhimin , Li Juan , Ju Guang
Published: July 2006

The S atom of the sulfonyl group in the title compound, C20H24Cl2N2O3S, has a distorted tetrahedral geometry. Two intermolecular N—H...O hydrogen bonds between the amino groups and the carbonyl groups link the molecules into a centrosymmetric dimer.
3-Hydroxy-5,7,4′-trimethoxyflavone monohydrate from Cucubalus baccifier (L.)
Authors: Yu Quan-Lin , Duan Hong-Quan , Gao Wen-Yuan
Published: July 2006

The title compound, C18H16O6·H2O, is a flavonol which was isolated from Cucubalus baccifer (L.). Intermolecular O—H...O and C—H...O hydrogen bonds link the molecules to form networks stacked along the a axis.
3-(3-Fluorobenzyl)-2-thioxo-2,3,5,6-tetrahydropyrimidin-4(1H)-one
Authors: Yu Chen-Xia , Yao Chang-Sheng , Tu Shu-Jiang , Wang Xiang-Shan , Jiang Hong
Published: July 2006

In the title molecule, C11H11FN2OS, conformational disorder is observed in the tetrahydropyrimidine ring and both components adopt half-chair conformations. In the crystal structure, the molecules are linked by C—H...O and N—H...S hydrogen bonds, forming a sheet-like structure parallel to the ab plane.
N-Benzylphthalimide
Authors: Lü Yan-Wen , Wang Bo-Hua , Cai Ge-Dong , Li Zhen-Hua , Wang Ping
Published: July 2006

In the title compound, C15H11NO2, the benzene and phthalimide groups are planar and make a dihedral angle of 74.2 (1)° with one another. There are three weak C—H...O hydrogen bonds, forming a two-dimensional network structure.
3,4,4-Trichloro-1-(4-chlorophenylsulfanyl)-1-[4-(2-fluorophenyl)piperazinyl]-2-nitrobuta-1,3-diene
Authors: Ibis Cemil , Gokmen Zeliha
Published: July 2006

In the title N,S-substituted compound, C20H16Cl4FN3O2S, the piperazine ring adopts a chair conformation. The butadiene unit assumes a configuration close to cisoid.
Bis(1,2,2,6,6-pentamethylpiperidin-4-yl) butylmalonate
Authors: Zeng Tao , Chen Li-Gong
Published: July 2006

The title compound, C27H50N2O4, was prepared from butylmalonic acid and 1,2,2,6,6-pentamethyl-4-hydroxypiperidine by transesterification. In the molecule, both piperidine rings adopt chair conformations.
1,4-Bis(chloroacetyl)piperazine
Authors: Wang Juan , Zeng Tao , Li Mei-Ling , Duan Er-Hong , Li Jiang-Sheng
Published: July 2006

The title compound, C8H12Cl2N2O2, contains two half-molecules in the asymmetric unit. The complete molecule is generated by inversion symmetry in both cases.
Chloro(N,N′-dimethyldithiocarbamato-κ2
S,S′)(1,10-phenanthroline-κ2
N,N′)copper(II)
Authors: Nobuo Okabe , Munehiro Tomoda , Mamiko Odoko , Masahiro Yodoshi
Published: July 2006

In the crystal structure of the title complex, [CuII(C3H6NS2)Cl(C12H8N2)], the CuII atom has a distorted square-pyramidal coordination geometry comprising one S,S′-bidentate dimethyldithiocarbamate (Me2dtc) ligand, one N,N′-bidentate 1,10-phenanthroline (phen) ligand and an apical Cl atom. A mirror plane passes through the Cu and Cl atoms, and also through the Csp
2—N bond of the dithiocarbamate. The complex molecules are linked together by C—H...Cl hydrogen bonds, forming a bilayered one-dimensional chain along the a axis.
Samarium(III) carbonate hydroxide
Authors: Xu Yan , Ding Shao-Hua , Feng Wun-Jun , Zhou Guang-Peng , Liu Yu-Guo
Published: July 2006

Sm(CO3)(OH) was obtained hydrothermally from an aqueous solution of samarium oxide, formic acid, triethylenetetramine and dimethylformamide. The structure features decacoordinated samarium (site symmetry m) with carbonate and hydroxide acting as bridging ligands.
4′-Fluorochalcone
Authors: Ng Shea-Lin , Razak Ibrahim Abdul , Fun Hoong-Kun , Patil P. S. , Dharmaprakash S. M.
Published: July 2006

The enone fragment and the benzene rings of the title compound, C15H11FO, are each planar. The crystal packing is stabilized by weak intermolecular C—H...π interactions involving both aromatic rings; the molecules are stacked along the b axis.
4,4′-Diamino-2,2′,6,6′-tetramethylbiphenyl
Authors: Batsanov Andrei S. , Low Paul J. , Paterson Michael A. J.
Published: July 2006

Each of the three independent molecules of the title compound, C16H20N2, has near-perpendicular benzene rings and pyramidal N atoms. Hydrogen bonding in the structure is rather inefficient.
7,8-Dichloro-2,3-diphenylquinoxaline
Authors: Gibson Ricky Joseph Paul , Kass Jorden Paul , Zambrano Cesar H. , Fronczek Frank R. , Dueno Eric Efrain
Published: July 2006

The title compound, C20H12Cl2N2, was synthesized from the reaction of equimolar amounts of 4,5-dichlorobenzene-1,2-diamine and benzil in acetonitrile, utilizing molecular iodine as the catalyst. The crystal structure was determined at 110 K. The dihedral angle between the two phenyl rings is 57.0 (1)°.
catena-Poly[[(2,2′-bipyridine-κ2
N,N′)neodymium(III)]-μ-dichloroacetato-1κ2
O:O′:2κO-di-μ-dichloroacetato-κ4
O:O′]
Authors: Rohde Alexander , Urland Werner
Published: July 2006

The title compound, [Nd(C2HCl2O2)3(C10H8N2)]
n
, was synthesized by reaction of neodymium(III) dichloroacetate with 2,2′-bipyridine in a water–ethanol (1:1) solution. The structure consists of chains running along the a axis. The Nd3+ ions are coordinated by seven O and two N atoms, giving a distorted monocapped square antiprism.
Poly[diaqua-μ4-benzene-1,4-dicarboxylato-di-μ2-benzene-1,4-dicarboxylato-bis(N,N′-dimethylformamide)digadolinium(III)]
Authors: Zhang Wen-Zhi
Published: July 2006

In the title compound, [Gd2(C8H4O4)3(C3H7NO)2(H2O)2]
n
, the central GdIII atom is nine-coordinated by seven O atoms from benzene-1,4-dicarboxylate (1,4-BDC) ligands, one dimethylformamide and one water molecule in a distorted tricapped trigonal–prism coordination. The 1,4-BDC ligands link the GdIII atoms, forming a three-dimensional structure. All aromatic rings are located on centres of inversion. The water molecule forms hydrogen bonds to carboxylate groups.
catena-Poly[benzyltrimethylammonium [cadmium(II)-tri-μ2-thiocyanato]]
Authors: Bala Ritu , Kennedy Alan R. , Saneja Kalpna , Sharma Raj Pal
Published: July 2006

The title compound, {(C10H16N)[Cd(SCN)3]}
n
, contains [(C6H5CH2)N(CH3)3]+ cations lying between one-dimensional chains of stoichiometry {[Cd(SCN)3]−}
n
. Each CdII ion is 3N,3S-hexacoordinated by thiocyanate ligands, in an octahedral fac arrangement. The asymmetric unit contains two cations and two anions.
The absolute configuration of a new aminoalkylphenol derived from (R)-(–)-2-phenylglycine
Authors: Zhang Guang-You , Wang Xiang-Bo , Zhao Jin-Yan , Wang Wan-Hui , Yang Xiao-Feng
Published: July 2006

The chiral aminoalkylphenol N-[(S)-1-(5-methyl-2-hydroxyphenyl)ethyl]-N–[(R)-2-hydroxy-1-phenylethyl]amine, C17H21NO2, was synthesized starting from R-(-)-2-phenylglycine. The corresponding hydrochloride salt was prepared and crystallized as an ethyl acetate solvate, affording N-[(R)-2-hydroxy-1-phenylethyl]-N-[(S)-1-(5-methyl-2-hydroxyphenyl)ethyl]aminium chloride ethyl acetate solvate, C17H22NO2
+·Cl−·C4H8O2, and the absolute configuration of the new stereogenic centre determined, from which that of the chiral aminoalkylphenol was inferred. The dihedral angle between the two aromatic rings is 40.74 (11)°.
Sodium perchlorate in the space group Pnma
Authors: Zhang Gui-Ling , Li Yan-Tuan , Wu Zhi-Yong , Song Yu-Lan
Published: July 2006

The first example of Na+ClO4
− in the orthorhombic system in space group Pnma at room temperature is reported. The Na, Cl and two O atoms are located on positions of site symmetry m.
Poly[[diaqua-μ6-succinato-di-μ5-succinato-diholmium(III)] monohydrate]
Authors: Yu Bin , Wang Xiao-Qing , Wang Ru-Ji , Shen Guang-Qiu , Shen De-Zhong
Published: July 2006

The HoIII center in the title coordination polymer, {[Ho2(C4H4O4)3(H2O)2]·H2O}
n
, is nine-coordinated in a tricapped trigonal prism by eight O atoms, derived from six carboxylate groups and a water molecule. One of the independent succinate anions is located about a crystallographic center of inversion and the uncoordinated water molecule lies on a twofold axis. The crystal structure comprises edge-shared HoO9 polyhedra linked by succinate bridges, forming a three-dimensional network structure.
Aqua[tris(1H-benzimidazol-2-ylmethyl)amine]copper(II) bis(perchlorate) 4-nitropyridine N-oxide monohydrate
Authors: Wu Hui-Lu , Dong Wen-Kui , Chen Ying
Published: July 2006

In the title structure, [Cu(C24H21N7)(H2O)](ClO4)2·C5H4N2O3·H2O, the CuII atom is bonded to a tris(1H-benzimidazol-2-ylmethyl)amine (ntb) ligand and a water molecule through four N atoms and one O atom, giving a distorted trigonal–bipyramidal coordination geometry with approximate C
3 molecular symmetry.
(2S,4S)-4-Azido-1-benzyl-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]pyrrolidine
Authors: Chesterton Amy K. S. , Jenkinson Sarah F. , Jones Nigel A. , Fleet George W. J. , Watkin David J.
Published: July 2006

The relative stereochemistry of the title compound, C16H22N4O2, a key intermediate in the synthesis of 3-deoxy imino sugars, was firmly established by X-ray crystallographic analysis. The absolute configuration was inferred from the starting material, D-galactose. There are no unusual crystal packing features.
2-(2,6-Diisopropylphenylimino)-1-phenylpropan-1-one
Authors: Ferreira Leonardo C. , Filgueiras Carlos Alberto L. , Hörner Manfredo , Visentin Lorenzo do C. , Bordinhao Jairo
Published: July 2006

In the crystal structure of the title compound, C20H25NO, all bond lengths and angles show normal values. Non-classical hydrogen bonds are responsible for the deviation from a planar arrangement.
1-(4-Chlorophenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
Authors: Teh Jeannie Bee-Jan , Patil P. S. , Fun Hoong-Kun , Razak Ibrahim Abdul , Dharmaprakash S. M.
Published: July 2006

In the title compound, C18H16Cl2O4, the dihedral angle between the benzene rings is 65.9 (1)°. The crystal packing is stabilized by intermolecular C—H...O interactions.
2-Amino-5,6,7,8-tetrahydro-4-p-tolylnaphthalene-1,3-dicarbonitrile
Authors: Rong Liang-Ce , Li Xiao-Yue , Wang Hai-Ying , Yao Chang-Sheng , Shi Da-Qing
Published: July 2006

The title compound, C19H17N3, was synthesized by the reaction of 4-methylbenzaldehyde and cyclohexane with malononitrile under solvent-free conditions at 293 K. Conformational disorder is observed in the cyclohexene ring and both the major and minor components adopt half-chair conformations. N—H...N hydrogen bonds generate a centrosymmetric R
2
2(12) dimer.
5-Nitrosalicylaldehyde (2-hydroxybenzoyl)hydrazone
Authors: Xu Hong-Mei , Liu Shi-Xiong
Published: July 2006

The molecule of the title compound, C14H11N3O5, is approximately planar, the dihedral angles between the two aromatic rings being 4.63 (7)°. O—H...N, N—H...O and O—H...O hydrogen bonds and π–π stacking interactions help to consolidate the crystal packing.
fac-[Bis(2-pyridylmethyl)amine-κ3
N]tribromoindium(III)
Authors: Itazaki Masumi , Ujihara Rie , Nakazawa Hiroshi
Published: July 2006

In the title compound, fac-[InBr3{NH(CH2C5H4N)2}], the InIII atom is coordinated by three bromide ligands and a tridentate bis(2-pyridylmethyl)amine ligand. A mirror plane passes through the In atom, one Br atom and central NH group. The molecule exhibits facial octahedral stereochemistry, with In—Br bond lengths of 2.5682 (13) and 2.6060 (9) Å, and In—N bond lengths of 2.311 (6) and 2.328 (9) Å.
1-[(E)-3-sec-Butyl-4-(4′-ethoxy-3,5-diethylbiphenyl-4-yldiazenyl)phenoxy]hexadecane
Authors: Han Mina R. , Hashizume Daisuke , Hara Masahiko
Published: July 2006

A Suzuki coupling reaction produced the title compound, C44H66N2O2, which consists of a photoisomerizable azobenzene unit coupled to a biphenyl group and a long alkyl chain. The molecule has a trans configuration with respect to the azo (–N=N–) group, and the long alkyl chain adopts a well ordered zigzag arrangement.
5-(Acetyloxy)tropolone
Authors: Kubo Kanji , Yamamoto Emi , Mori Akira
Published: July 2006

The title compound (systematic name: 5-acetoxy-2-hydroxy-2,4,6-cycloheptatrien-1-one), C9H8O4, contains intra- and intermolecular O—H...O hydrogen bonds, resulting in centrosymmetric dimers. The acetoxy group makes an angle of 59.86 (5)° with the seven-membered tropolone ring system. The crystal packing is consolidated by π–π and C—H...O interactions.
3-(4-Fluoro-3-phenoxyphenyl)-5-(4-methoxyphenyl)isoxazole
Authors: Chopra Deepak , Mohan T. P. , Vishalakshi B.
Published: July 2006

The crystal structure of the title compound, C22H16FNO3, is stablized by C—H...π intermolecular interactions.
3-[(3-Ethyl-1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-benzimidazole
Authors: Tan Cheng-Xia , Sun Na-Bo , Weng Jian-Quan , Shen De-Long
Published: July 2006

In the title compound, C14H13N5O3, the dihedral angle formed between the five-membered pyrazole and the benzimidazole ring system is 68.2 (2)°.
μ-Benzene-1,4-dicarboxylato-bis[aquachloro(2-phenyl-1H-1,3,7,8-tetraazacyclopenta[l]phenanthrene)zinc(II)]
Authors: Cui Yun-Cheng , Wang Jia-Jun , Che Guang-Bo , Liu Chun-Bo , Li Chuan-Bi
Published: July 2006

In the title compound, [Zn2(C8H4O4)Cl2(C19H12N4)2(H2O)2] or [Zn2(BDC)Cl2(L)2(H2O)2] (where BDC is benzene-1,4-dicarboxylate and L is 2-phenyl-1H-1,3,7,8,-tetraaza-cyclopenta[l]phenanthrene), the two ZnII atoms are bridged by the BDC ligand to form a dinuclear compound in which each ZnII atom is five-coordinated by two N atoms from one L ligand, one chloride ion, and two O atoms, one from the BDC and one from the water molecule. The molecule is centrosymmetric. Neighbouring dinuclear complexes interact through π–π contacts to form stacks, leading to a two-dimensional supramolecular structure.
4-Bromo-β-(2-oxoquinolin-4-yloxy)cinnamonitrile: a three-dimensional framework structure built from N—H...O and C—H...O hydrogen bonds, and bromo–carbonyl and aromatic π–π stacking interactions
Authors: Cruz Silvia , Torre José M. de la , Cobo Justo , Low John N. , Glidewell Christopher
Published: July 2006

In the title compound, C18H11BrN2O2, the molecules are linked into sheets by a combination of one N—H...O and two C—H...O hydrogen bonds, and the sheets are linked by an aromatic π–π stacking interaction.
Thorium tin antimonide, ThSn0.2Sb1.8
Authors: Tkachuk Andriy V. , Mar Arthur
Published: July 2006

ThSn0.2Sb1.8 represents the upper limit of Sn substitution into ThSb2. The Sn atoms enter the Sb site in the UAs2-type or anti-Cu2Sb-type (a binary variant of the PbFCl-type or ZrSiS-type) structure of ThSb2, which is built up of layers of Th-centred monocapped square antiprisms.
Aquabis(1,10-phenanthroline)(3-sulfonatobenzoato)manganese(II) tetrahydrate
Authors: Yang Teng-Jiao , Xiao Hong-Ping , Zhu Long-Guan
Published: July 2006

The title compound, [Mn(C7H4O5S)(C12H8N2)2(H2O)]·4H2O, which was obtained by the reaction of MnCl2 with sodium hydrogen 3-sulfobenzoate and 1,10-phenanthroline, is a monomer. The coordination polyhedron of the Mn atom is a distorted octahedron. π–π Interactions between neighboring monomers and extensive hydrogen bonding consolidate the stability of the crystal structure.
catena-Poly[[(2,2′-biquinoline-κ2
N,N′)copper(I)]-μ-isothiocyanato-κ2
N:S]
Authors: Zhou Rui , Ng Seik Weng
Published: July 2006

The isothiocyanate ligand in the title compound, [Cu(NCS)(C18H12N2)]
n
, links adjacent tetrahedral CuI atoms into a zigzag chain; the Cu lies on a mirror plane that bisects the chelating biquinoline ligand.
(+)-N-[(3S)-3-(2,4-Dichlorophenyl-4-methyl)pentanoyl]bornane-10,2-sultam
Authors: Cao Xiu-Fang , Yu Guang-Ao , Lu Wen-Chang , Meng Xiang-Gao , Liu Sheng-Hua
Published: July 2006

In the crystal structure of the title compound, C22H29Cl2NO3S, molecules are linked via C—H...O interactions, forming chains along the a axis.
trans-Dichlorobis[diphenyl(p-tolyl)phosphine]palladium(II)
Authors: Steyl Gideon , Kirsten Leo , Roodt Andreas
Published: July 2006

The centrosymmetric title compound, [PdCl2(C19H17P)2], crystallizes with a square-planar geometry about the PdII metal centre. The most important bond distances include Pd—P (trans P) of 2.3404 (9) Å and Pd—Cl (trans Cl) of 2.2977 (12) Å. Weak intra- and intermolecular hydrogen bonding is observed in the solid-state structure between the chloro and phenyl H atoms. This weak intermolecular hydrogen-bonding pattern forms a one-dimensional chain along the b axis.
N-(2-Chlorophenyl)-2-(quinolin-8-yloxy)acetamide
Authors: Zhang Shu-Sheng , Xu Li-Li , Wen Hui-Ling , Li Xue-Mei , Wen Yong-Hong
Published: July 2006

In the title compound, C17H14ClN2O3, there are intramolecular hydrogen bonds of types N—H...O (2.634 and 2.570 Å), N—H...Cl (2.925 Å) and C—H...O (2.894 Å). The dihedral angle between the planes of the quinoline system and the benzene ring is 20.3 (1)°. The crystal packing is stabilized by π–π interactions.
5-Amino-4-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile
Authors: Li Shu-Yan , Zhong Ping , Hu Mao-Lin , Li Jin-Hai
Published: July 2006

In the title compound, C11H4Cl3F3N4, the dihedral angle between the pyrazole and the N-substituted benzene ring planes is 84.5 (2)°. The crystal structure is stabilized by N—H...N hydrogen bonds.
Tetrakis[μ-1,3-bis(4-methyl-2-pyridylimino)isoindolinato]trimercury(II) dinitrate methanol tetrasolvate
Authors: Wicholas Mark , Dietrich Brandon L. , Anderson Oren P. , Cour Agnete la
Published: July 2006

The title compound, [Hg3(C20H16N5)4](NO3)2·4CH3OH, consists of a trinuclear HgII dipositive cation, [Hg3(4′-MeL)4]2+, two nitrate anions and four occluded methanol molecules. The Hg atoms of the cation lie on a crystallographic twofold axis and are tetrahedrally coordinated by nitrogen-donor atoms of the bridging 1,3-bis(4-methyl-2-pyridylimino)isoindoline ligands. The central Hg atom is coordinated by four pyridine N atoms, one from each of the 4′-MeL
− ligands, while the two outer Hg atoms are each coordinated by two pyridine and two pyrrole N atoms.
2,5-Di-4-pyridinio-1,3,4-oxadiazole bis(perchlorate) monohydrate
Authors: Wang Yong-Tao , Tang Gui-Mei , Qin Da-Wei , Duan Hong-Dong , Ng Seik Weng
Published: July 2006

In the title structure, C12H10N4O2+·2ClO4
−·H2O, the dication is not planar and N—H...O hydrogen bonds link it to perchlorate anions and water molecules. In addition, N—H...O and O—H...O hydrogen bonds link these units into a three-dimensional network.
Bromo(N,N-dimethyldithiocarbamato-κ2
S,S′)diphenyltin(IV)
Authors: Tian Lai-Jin , Mao Wu-Tao , Sun Yu-Xi , Liu Xi-Cheng
Published: July 2006

The Sn atom in the title compound, [SnBr(C6H5)2(C3H6NS2)], adopts a distorted SnBrC2S2 trigonal–bipyramidal environment.