bluuebunny/crossref_metadata_2025 huggingface dataset:
The fibrin-derived γ377-395 peptide inhibits microglia activation and suppresses relapsing paralysis in central nervous system autoimmune disease
Authors: Adams Ryan A. , Bauer Jan , Flick Matthew J. , Sikorski Shoana L. , Nuriel Tal , Lassmann Hans , Degen Jay L. , Akassoglou Katerina
Published: March 2007

Perivascular microglia activation is a hallmark of inflammatory demyelination in multiple sclerosis (MS), but the mechanisms underlying microglia activation and specific strategies to attenuate their activation remain elusive. Here, we identify fibrinogen as a novel regulator of microglia activation and show that targeting of the interaction of fibrinogen with the microglia integrin receptor Mac-1 (αMβ2, CD11b/CD18) is sufficient to suppress experimental autoimmune encephalomyelitis in mice that retain full coagulation function. We show that fibrinogen, which is deposited perivascularly in MS plaques, signals through Mac-1 and induces the differentiation of microglia to phagocytes via activation of Akt and Rho. Genetic disruption of fibrinogen–Mac-1 interaction in fibrinogen-γ390-396A knock-in mice or pharmacologically impeding fibrinogen–Mac-1 interaction through intranasal delivery of a fibrinogen-derived inhibitory peptide (γ377-395) attenuates microglia activation and suppresses relapsing paralysis. Because blocking fibrinogen–Mac-1 interactions affects the proinflammatory but not the procoagulant properties of fibrinogen, targeting the γ377-395 fibrinogen epitope could represent a potential therapeutic strategy for MS and other neuroinflammatory diseases associated with blood-brain barrier disruption and microglia activation.
Dietary copper supplementation reverses hypertrophic cardiomyopathy induced by chronic pressure overload in mice
Authors: Jiang Youchun , Reynolds Corey , Xiao Chang , Feng Wenke , Zhou Zhanxiang , Rodriguez Walter , Tyagi Suresh C. , Eaton John W. , Saari Jack T. , Kang Y. James
Published: March 2007

Sustained pressure overload causes cardiac hypertrophy and the transition to heart failure. We show here that dietary supplementation with physiologically relevant levels of copper (Cu) reverses preestablished hypertrophic cardiomyopathy caused by pressure overload induced by ascending aortic constriction in a mouse model. The reversal occurs in the continued presence of pressure overload. Sustained pressure overload leads to decreases in cardiac Cu and vascular endothelial growth factor (VEGF) levels along with suppression of myocardial angiogenesis. Cu supplementation replenishes cardiac Cu, increases VEGF, and promotes angiogenesis. Systemic administration of anti-VEGF antibody blunts Cu regression of hypertrophic cardiomyopathy. In cultured human cardiomyocytes, Cu chelation blocks insulin-like growth factor (IGF)-1– or Cu-stimulated VEGF expression, which is relieved by addition of excess Cu. Both IGF-1 and Cu activate hypoxia-inducible factor (HIF)-1α and HIF-1α gene silencing blocks IGF-1– or Cu-stimulated VEGF expression. HIF-1α coimmunoprecipitates with a Cu chaperone for superoxide dismutase-1 (CCS), and gene silencing of CCS, but not superoxide dismutase-1, prevents IGF-1– or Cu-induced HIF-1α activation and VEGF expression. Therefore, dietary Cu supplementation improves the condition of hypertrophic cardiomyopathy at least in part through CCS-mediated HIF-1α activation of VEGF expression and angiogenesis.
4,4′,4′′-(1,3,5-Triazine-2,4,6-triyl)tripyridinium trinitrate
Authors: Zhu Shou-Rong , Chen Wan-Dong , Zhao Hong-Jian , Shao Min , Li Ming-Xing
Published: March 2007

Reaction of 2,4,6-tris(4-pyridyl)-1,3,5-triazine (tpt) with excess nitric acid in an aqueous solution affords the title compound, C18H15N6
3+·3NO3
−. The torsion angles between adjacent aromatic rings are much larger than those of neutral tpt. All three pyridine N atoms are protonated.
(1-Ferrocenylbutane-1,3-dionato)[tris(2-aminoethyl)amine]cobalt(II) chloride tetraphenylborate acetone solvate
Authors: Yan Chao-Guo , Liu Li , Han Jun
Published: March 2007

Acetoacetylferrocene reacted with cobalt chloride and tris(2-aminoethyl)amine in methanol to give the title complex, [CoFe(C5H5)(C9H8O2)(C6H18N4)](C24H20B)Cl·C3H6O, with acetoacetylferrocene and a tripod amine as ligands. The Co atom has slightly distorted octahedral coordination.
The 1:2 adduct of hexaaquanickel(II) dinitrate and bis(pyrimidin-2-ylsulfanyl)methane
Authors: Xie Chuang , Chang De-Wu , Mu Shi-Cheng , Zhou Li-Na , Chen Wei
Published: March 2007

In the title compound, hexaaquanickel(II) dinitrate–bis(pyrimidin-2-ylsulfanyl)methane (1/2), [Ni(H2O)6](NO3)2·2C9H8N4S2, the NiII ion, located on an inversion center, has a distorted octahedral coordination geometry. The NiII complex cation, nitrate anions and the bis(pyrimidin-2-ylsulfanyl)methane molecules are linked together by hydrogen-bonding interactions.
Bis[2-(2,4-dioxopentan-3-ylidene-κO)-1-(4-methoxyphenyl)hydrazinato-κN
1]copper(II)
Authors: Mac-Leod-Carey Desmond A. , Bustos Carlos , Schott Eduardo , Alvarez-Thon Luis , Fuentealba Mauricio
Published: March 2007

Molecules in the title compound, [Cu(C12H13N2O3)2], are linked via weak C—H...O and C—H...π(arene) interactions into a three-dimensional network. The Cu atom lies on an inversion centre, and therefore the asymmetric unit contains half a formula unit. The coordination geometry about the Cu atom can be described as tetragonally distorted octahedral.
3,5-Dimethyl-1-(4-nitrophenyl)-4-[(E)-(2,3,4,5,6-pentafluorophenyl)diazenyl]-1H-pyrazole
Authors: Bustos Carlos , Sánchez Cristian , Schott Eduardo , Alvarez-Thon Luis , Fuentealba Mauricio
Published: March 2007

In the title molecule, C17H10F5N5O2, all bond lengths and angles show normal values. Weak intermolecular C—H...O hydrogen bonds and π–π stacking interactions stabilize the crystal packing.
trans-Bis(ethylenediamine)bis(trifluoroacetato)copper(II)
Authors: Karpova Elena V. , Zakharov Maxim A. , Gutnikov Sergey I. , Boltalin Alexandr I.
Published: March 2007

The title complex, [Cu(H2NCH2CH2NH2)2(CF3COO)2], possesses a crystallographically imposed centre of symmetry. The Cu(II) atom is coordinated by four N atoms [Cu—N 1.985 (2), 2.015 (2) Å] from two chelate ethylenediamine ligands and two O atoms [Cu—O 2.579 (2) Å] from two trifluoroacetate anions in a distorted octahedral geometry. The crystal packing is stabilized by weak intermolecular N—H...O hydrogen bonds.
6-Benzoyl-7-phenyl-2,3-dihydro-1H-pyrrolizine
Authors: Liu Yu-min , Hu Yong-qi , Li Xiao-yun , Chen Wei
Published: March 2007

The title compound, C20H17NO, adopts a gauche conformation and the pyrrolizine ring system is planar. An intermolecular C—H...O interaction is found in the molecular packing.
Dichlorobis(dipyrido[3,2-a:2′3′-c]phenazine-κ2
N,N)zinc(II)
Authors: Zhou Feng-Chen , Fang Wei , Dong En-Jie , Li Chuan-Bi
Published: March 2007

In the title compound, [ZnCl2(C18H10N4)2], the ZnII atom, lying on a crystallographic twofold rotation axis, is six-coordinated in an octahedral geometry by two Cl− ions and four N atoms from two dipyrido[3,2-a:2′3′-c]phenazine ligands. Neighboring molecules interact through π–π contacts, forming a supramolecular structure.
The α-phase of SrTeO3 at 295 K
Authors: Zavodnik Valery E. , Ivanov Sergey A. , Stash Adam I.
Published: March 2007

The crystal structure of strontium tellurite (STO), SrTeO3, has been determined at room temperature using X-ray diffraction data obtained from single crystals grown by the Czochralski method. Selection of a non-centrosymmetric (C2) structure model was confirmed by the second harmonic generation test. The structure of STO is built up of three types of distorted [SrO
x
] polyhedra (x = 6, 7 and 8) which share their oxygen anions with TeO3 pyramidal units. These main anionic polyhedra are responsible for establishing two types of tunnels required for the electron lone pairs of the Te4+ cation.
N-(3-Methylbutyryl)-N′-phenylthiourea
Authors: Yusof M. Sukeri M. , Asroh Fatin Salbiah M. , Kadir Maisara A. , Yamin Bohari M.
Published: March 2007

The title compound, C12H16N2OS, adopts a trans–cis configuration of the 3-methylbutyryl and phenyl groups, respectively, with respect to the thiono S atom, across the thiourea C—N bonds. An intramolecular N—H...O hydrogen bond is formed and intermolecular N—H...O and N—H...S interactions link the molecules into a two-dimensional network.
Diaqua(5-methylpyrazine-2-carboxylato-κ2
N,O)cobalt(II)
Authors: Fan Guang , Chen San-Ping , Gao Sheng-Li
Published: March 2007

In the title complex, [Co(C6H5N2O2)2(H2O)2], the Co2+ cation lies on an inversion centre and the coordination geometry is distorted octahedral, with two N atoms and two O atoms from the 5-methylpyrazine-2-carboxylate ligands in the equatorial plane. The two remaining coordination sites are occupied by two water molecules. The crystal structure is stabilized by a network of O—H...O hydrogen-bonding interactions, forming a two-dimensional supramolecular structure.
Benzhydryl 2-(3-benzyl-7-oxo-4-thia-2,6-diazabicyclo[3.2.0]hept-2-en-6-yl)-3-hydroxybut-2-enoate
Authors: Fu De-Cai , Sun Feng-Xia , Chen Jin-Ping , Liu Qian , Zhang Jing
Published: March 2007

There are two molecules in the asymmetric unit of the title compound, C28H24N2O4S, an important intermediate in the synthesis of the cephem nucleus, which is convertible into broad-spectrum cephalosporin antibiotics. The two molecules have comparable conformations.
N-[4-(4-Fluorophenyl)-5-methyl-6-isopropylpyrimidin-2-yl]-N-methylmethanesulfonamide
Authors: Zhou Xiao-Li , Li Jiang-Sheng , Wang Wei , Zhang Ying-Ying , Fan Xiao-Peng
Published: March 2007

In the crystal structure of the title compound, C16H20FN3O2S, the dihedral angle between the pyrimidine and benzene rings is 47.91 (12)°. Weak π–π stacking interactions help to determine the crystal packing.
4′-(4-Methoxyphenyl)-2,2′:6′,2′′-terpyridine
Authors: Anthonysamy Arockiam , Balasubramanian Sengottuvelan , Chinnakali K. , Fun Hoong-Kun
Published: March 2007

In the title molecule, C22H17N3O, the three pyridyl rings are almost coplanar. The molecule exhibits a trans–trans arrangement of the pyridine rings about the interannular C—C bonds. The methoxyphenyl substituent makes a dihedral angle of 6.17 (7)° with the central pyridine ring.
1-(2,6-Dichlorobenzoyl)-3-(3,4-dichlorophenyl)thiourea
Authors: Khawar Rauf M. , Badshah Amin , Bolte Michael , Ahmad Imtiaz
Published: March 2007

The title compound, C14H8Cl4N2OS, shows the typical geometric parameters of substituted thiourea derivatives. The crystal packing is characterized by N—H...O and N—H...S hydrogen bonds.
Sodium [2-(mercaptomethylcarbonylamino)-N-(2-mercaptophenyl)ethanamide(4−)-κ4
S,N,N′,S′]oxorhenate(V) monohydrate
Authors: Le Gal Julien , Benoist Éric , Gressier Marie , Bélanger-Gariépy Francine , Beauchamp André L.
Published: March 2007

In the complex anion of the title compound, Na[Re(C10H8N2O2S2)O]·H2O, the Re atom adopts a square-pyramidal coordination, in which the Re=O bond is apical and the S,N,N,S-tetradentate ligand spans the four basal sites. The Na+ counter-ion is octahedrally surrounded by one S and five O atoms.
2-(Benzotriazol-1-yl)-1-(4-methylbenzoyl)ethyl 4-ethylbenzoate
Authors: Zeng Wu-Lan , Bi Sai , Wan Jun
Published: March 2007

In the title compound, C25H23N3O3, molecules are linked into chains along the c axis by intermolecular C—H...O hydrogen bonds. The packing is further stabilized by C—H...π and π–π interactions.
2-(Benzotriazol-1-yl)-1-(4-methylbenzoyl)ethyl 2,4-dichlorobenzoate
Authors: Bi Sai , Zeng Wu-Lan , Wan Jun
Published: March 2007

In the molecule of the title compound, C23H17Cl2N3O3, the nearly planar benzotriazole system is oriented at dihedral angles of 19.53 (1) and 62.95 (1)°, respectively, with respect to the tolyl and dichlorophenyl rings. In the crystal structure, molecules are linked into chains along the a axis by intermolecular C—H...O hydrogen bonds.
Diphenyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]oxazol-3(1H)-one
Authors: Wang Bing-Tao , Yue Hua-Dong , Luo Shu-Ping , Wang Li-Ping , Xu Dan-Qian
Published: March 2007

The title compound, C18H17NO2, synthesized from enantiomerically pure L-proline, methyl chloroformate and a Grignard reagent, crystallizes with two molecules in the asymmetric unit. A chair conformation is adopted by the two fused five-membered rings.
1-Benzyl-4-(4-tert-butylphenyl)piperazine
Authors: Yang Li-Chao , Li Yi-Zhi , Zhao Sen-Zhi , Wu Lin
Published: March 2007

In the title compound, C21H28N2, the two benzene rings are oriented nearly perpendicular to each other, and the piperazine ring adopts a chair conformation.
3-(Benzotriazol-1-yl)-1-m-tolylpropan-1-one
Authors: Zeng Wu-Lan , Bi Sai , Wan Jun
Published: March 2007

In the title compound, C16H15N3O, the whole skeleton of non-H atoms is approximately planar; the dihedral angle is 1.45 (2)° between the benzene and triazole rings in the benzotriazole unit and 6.46 (1)° between the other terminal benzene ring and the benzotriazole unit. The crystal structure is stabilized by C—H...π interactions.
N-Acetyl-DL-phenylglycine
Authors: Yang Rui-Dong , Zhao Lin , Yu Yang
Published: March 2007

There are two molecules in the asymmetric unit of the title compound, C10H11NO3, an intermediate for the optical resolution of DL-phenylglycine,. The crystal packing involves intermolecular O—H...O and N—H...O hydrogen bonds.
1-(2,4-Dichlorobenzoyl)-3-phenylthiourea
Authors: Khawar Rauf M. , Badshah Amin , Bolte Michael , Ahmad Imtiaz
Published: March 2007

The title compound, C14H10Cl2N2OS, crystallizes with two molecules in the asymmetric unit. The two molecules, differing only in the conformation of the dichlorophenyl ring, show the typical geometric parameters of substituted thiourea derivatives. The crystal packing is characterized by N—H...O and N—H...S hydrogen bonds.
Dibutylbis[3-(dimethylamino)benzoato]tin(IV)
Authors: Win Yip Foo , Teoh Siang-Guan , Ibrahim Pazilah , Ng Shea-Lin , Fun Hoong-Kun
Published: March 2007

The molecule of the title compound, [Sn(C4H9)2(C9H10NO2)2], has twofold rotation symmetry. The geometry of the Sn atom is distorted tetrahedral. The dimethylamine substituent is twisted slightly from the benzene ring. The molecules are stabilized by weak intermolecular C—H...π interactions.
Dimethyl 2-[2-(2-amino-6-chloropurin-9-yl)ethyl]malonate
Authors: Yi Xiu-Guang , Liu Chong-Bo , Wu Zi-Sheng , Chen Jun-Hui , Wen Hui-Liang
Published: March 2007

In the title compound, C12H14ClN5O4, the dihedral angles between the purine plane and two methoxycarbonyl planes are 15.806 (19) and 68.818 (18)°. Intermolecular N—H...O and N—H...N hydrogen bonds link molecules into bands along the b axis; they are further aggregated via C—H...O interactions into layers parallel to the ab plane.
μ-2,2′-Biphenolato-κ2
O:O′-μ-oxido-κ2
O:O-bis[bis(hexafluoroacetylacetonato-κ2
O,O′)titanium(IV)]
Authors: Kuhn Annemarie , Muller Alfred , Conradie Jeanet
Published: March 2007

The coordination of [Ti(hfaa)2Cl2] (hfaa = hexafluoroacetylacetonate) with the hydroxyl-containing bidentate ligand 2,2′-biphenol yielded the title compound, [{Ti(hfaa)2}2(μ-2,2′-biphenolato)(μ-oxo)] or [Ti2(C5HF6O2)4(C12H8O2)O]. The molecule has crystallographic twofold rotation symmetry. The biphenolate ligand bridges the two Ti atoms.
Benzyl 6,6-dibromo-2β-chloromethyl-2α-methylpenicillanate
Authors: Wang Xi-Zhao , Pang Li-Na , Liu Jun-Zhi , Sun Fang-Gang , Wang Jian-Wu
Published: March 2007

In the title compound, C15H14Br2ClNO3S, all bond lengths and angles show normal values. The five-membered ring exhibits a twist conformation. The crystal packing is stabilized mainly by van der Waals forces.
(E,E)-N,N′-Bis(4-methoxybenzylidene)hexane-1,6-diamine
Authors: Li Jian , Liang Zu-Pei , Wu Qian
Published: March 2007

In the title compound, C22H28N2O2, the two anisole groups are essentially planar; the dihedral angle between them is 7.4 (2)°.
Poly[ethylenediammonium hydroxydeca-μ2-oxo-pentaborate]
Authors: Wang Guo-Ming , Pan Chun-Yang , Zheng Shou-Tian , Yang Guo-Yu
Published: March 2007

The title compound, {C2H10N2
2+·B5O8(OH)2−}
n
, has been hydrothermally synthesized. The structure consists of two-dimensional polymeric sheets constructed from [B5O8(OH)]2− pentaborate anions. Adjacent borate sheets are linked by O—H...O hydrogen bonds into a three-dimensional framework with channels running along one direction. The ethylenediammonium cations lie on centres of inversion within the channels, interacting with the framework through N—H...O hydrogen bonds.
Poly[propane-1,3-diammonium hydroxydeca-μ2-oxo-pentaborate]
Authors: Wang Guo-Ming , Pan Chun-Yang , Zheng Shou-Tian , Yang Guo-Yu
Published: March 2007

The title compound, {C3H12N2
2+·B5O8(OH)2−}
n
, has been synthesized under mild solvothermal conditions in the presence of 1,3-diaminopropane acting as a template. The structure consists of two-dimensional polymeric sheets constructed from [B5O8(OH)]2− pentaborate anions. Adjacent borate sheets are linked by O—H...O hydrogen bonds to form a three-dimensional framework with channels running along one direction. The propane-1,3-diammonium cations lie within the channels, interacting with the framework through N—H...O hydrogen bonds.
2-(2,4-Dichloro-6-methylphenoxy)-3-isopropyl-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidin-4(3H)-one
Authors: Zheng Ai-Hua , Long Ji-Yin , Zeng Xiao-Hua , Wang Hong-Mei
Published: March 2007

In the title compound C20H21Cl2N2O2S, the thienopyrimidine ring system is essentially planar. The crystal packing is stabilized by van der Waals forces and by an intermolecular C—H...O hydrogen-bonding interaction, which links the molecules into zigzag chains.
4-(3-Nitrobenzylideneamino)-3-(1H-1,2,4-triazol-1-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione
Authors: Shi Xin-Yan
Published: March 2007

In the title compound, C12H10N8O2S, the triazole and benzene rings make dihedral angles of 72.16 (2) and 7.39 (3)°, respectively, with the thione-substituted triazole ring. In the crystal structure, intermolecular N—H...N hydrogen bonds link the molecules into chains running in the [101] direction.
2-Anilino-4,6-dimethylpyrimidinium p-toluenesulfonate
Authors: Li Jia-Cheng , Feng Yu-Hong , Lin Qiang , Zhang De-La
Published: March 2007

In the crystal structure of the title compound, C12H14N3
+·C7H7O3S−, cations and anions are linked by intermolecular N—H...O and C—H...O hydrogen-bonding interactions, forming channels running along the b axis.
3-(4-Oxocyclohexyl)propionic acid monohydrate: hydrogen bonding in the hydrate of a ζ-keto acid
Authors: Witko Stephanie M. , Davison Mark , Thompson Hugh W. , Lalancette Roger A.
Published: March 2007

In the title crystal structure, C9H14O3·H2O, the water molecule accepts a hydrogen bond from the carboxyl group [O...O = 2.6004 (13) Å and O—H...O = 163°], while donating hydrogen bonds to the ketone [O...O = 2.8193 (14) Å and O—H...O = 178 (2)°] and the acid carbonyl groups [O...O = 2.8010 (14) Å and O—H...O = 174 (2)°]. This creates a network of hydrogen bonds confined within a continuous flat ribbon two molecules in width and extending in the [101] direction.
2,2′-(Methylenedithio)bis(4,6-dimethylpyrimidine)
Authors: Chen Shi-Kun , Li Lin , Tian Lei , Wu Jie-Ying
Published: March 2007

The molecule of the title compound, C13H16N4S2, has C
2 symmetry. The crystal packing is mainly stabilized by van der Waals forces.
N,N-Diisobutyl-N′-(2-thienylcarbonyl)thiourea
Authors: Gomes Ligia R. , Santos Luis M. N. B. F. , Schröder B. , Wagner Ch.
Published: March 2007

The title compound, C14H22N2OS2, contains a disordered isobutyl group. There are no direction-specific interactions between the molecules of the title compound.
2,3-Dimethyl-1-[2-(4-pyridyloxy)ethyl]imidazol-1-ium hexafluorophosphate
Authors: Chen Feng-Xiang , Kong Yi , Han Hui-Jing , Zhang Yi-Qun , Xie Mei-Ran
Published: March 2007

The title compound, C12H16N3O+·PF6
−, contains an imidazolium cation with PF6
− as counter-anion. The structure is stablized by a weak intermolecular C—H...N interaction.
4-Nitrobenzyl 2-(anilinocarbonyl)propionate
Authors: Wang Cun-Kuan
Published: March 2007

The title complex, C17H16N2O5, was synthesized through a Wolff rearrangement reaction under microwave irradiation. In the crystal structure, a single weak intermolecular N—H...O hydrogen bond links molecules into a one-dimensional supramolecular chain.
N-Benzyl-5-phenyl-1H-pyrazole-3-carboxamide
Authors: Ge Yan-Qing , Xia Yong , Wei Fang , Dong Wen-Liang , Zhao Bao-Xiang
Published: March 2007

In the title molecule, C17H15N3O, the pyrazole ring makes dihedral angles of 22.0 (2) and 66.5 (3)° with the two phenyl rings. In the crystal structure, intermolecular N—H...O and C—H...O hydrogen bonds link the molecules into ribbons running along the a axis.
Redetermination of bis(acetonitrile-κN)octa-μ3-selenido-tetrakis(triethylphosphine-κP)hexarhenium(III) at 150 K
Authors: Orto Peter J. , Nichol Gary S. , Zheng Zhiping
Published: March 2007

The crystal structure of the cluster compound, trans-[Re6Se8(MeCN)2(Et3P)4](SbF6)2, originally determined at room temperature [Zheng, Gray & Holm (1999). Inorg. Chem.
38, 4888–4895], has been redetermined at 150 K. The cation lies on a crystallographic inversion center, and the SbF6
− counter-ions are fully ordered.
4,6-Bis{2′-hydroxy-2′,3′-dihydrospiro[cyclopropane-1,1′(1H)-inden]-3′-yl}isophthalonitrile
Authors: Lu Zhi-Feng , Xu Jian-Hua , Teh Jeannie Bee-Jan , Fun Hoong-Kun
Published: March 2007

In the title compound, C30H24N2O2, the central benzene ring forms dihedral angles of 84.3 (1) and 86.4 (1)° with the terminal benzene rings. The crystal structure is stabilized by O—H...O and C—H...π interactions.
(Acetylacetonato-κ2
O,O′)(oxalato-κ2
O,O′)(1,10-phenanthroline-κ2
N,N′)chromium(III) trihydrate
Authors: Wang Wen-Bo , Yang Li-Xin , Chen Fang-Fei
Published: March 2007

The title ternary mixed-ligand chromium(III) complex, [Cr(C5H7O2)(C2O4)(C12H8N2)]·3H2O, features a distorted octahedral geometry completed by three different bidentate chelating ligands, viz. 1,10-phenanthroline, acetylacetonate and oxalate. Complex molecules are linked by π–π stacking interactions between phenanthroline rings, and C—H...O and O—H...O hydrogen bonds to form a three-dimensional structure.
N-(2,5-Dichlorophenyl)-N′-isobutyrylthiourea
Authors: Yusof M. Sukeri M. , Ariff Norfazila M. , Kadir Maisara A. , Yamin Bohari M.
Published: March 2007

The title compound, C11H12Cl2N2OS, adopts a trans–cis configuration of the isobutyryl and 2,5-dichlorophenyl groups with respect to the thiono S atom, across the thiourea C—N bonds. The crystal structure is stabilized by intermolecular N—H...S hydrogen bonding, forming dimers parallel to the ac plane.
Redetermination of iron(III) arsenate dihydrate
Authors: Xu Yan , Zhou Guang-Peng , Zheng Xue-Fang
Published: March 2007

Fe(AsO4)·2H2O was obtained hydrothermally from an aqueous solution of iron(III) chloride, ethylenediamine and arsenic acid. The structure features six-coordinate iron with sulfate anions acting as bridging ligands.
N-[1-(Benzylaminocarbonyl)-2-(4-chlorophenyl)ethyl]benzamide
Authors: Wen Li-Rong , Liu Peng , Li Ming
Published: March 2007

The title compound, C23H19ClN2O2, has been obtained by the reaction of (Z)-4-(4-chlorobenzylidene)-2-phenyloxazol-5(4H)-one and benzylamide. The molecules are connected by two N—H...O intermolecular hydrogen bonds to form helicoidal chains running parallel to the c axis.
N,N′-Bis(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphinan-2-yl)piperazine
Authors: Chen Ming-Liang , Xiong De-Jun , Hu Bo , Li Hai-Bing
Published: March 2007

The molecule of the title compound, C14H28N2O4P2S2, possesses a crystallographically imposed inversion centre. The molecular structure is stabilized by two C—H...O hydrogen bonds.
Cyclohexane-1,4-diammonium tetrahydroxotetraborate 2.5-hydrate
Authors: Pan Chun-Yang , Wang Guo-Ming , Zheng Shou-Tian , Yang Guo-Yu
Published: March 2007

In the title compound, [C6H10(NH3)2]2+·[B4O5(OH)4]2−·2.5H2O, the asymmetric unit contains one anion, two half-cations and 2.5 water molecules. Each cation is centrosymmetric. In the crystal structure, the anions are connected to each other via hydrogen bonding, forming a three-dimensional framework with rectangular channels, which are occupied by the templating organic amine cations and guest water molecules.
Ethyl 7-methyl-2-[4-(methylsulfanyl)benzylidene]-5-[4-(methylsulfanyl)phenyl]-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
Authors: Fischer Andreas , Yathirajan H. S. , Mithun A. , Bindya S. , Narayana B.
Published: March 2007

The title compound, C25H24N2O3S3, was crystallized from a methanol–acetone mixture. The monoclinic structure features one molecule in the asymmetric unit. The crystal packing is stabilized by π stacking.
1-(2,3-Dimethylphenyl)-3-(2-methylbenzoyl)thiourea
Authors: Khawar Rauf M. , Badshah Amin , Bolte Michael
Published: March 2007

The benzoyl and dimethylphenyl groups in the title compound, C17H18N2OS, are cis and trans, respectively, with respect to the C=S bond. The crystal packing is characterized by N—H...O and N—H...S hydrogen bonds.
Chlorobis(2-chlorobenzyl)(4-ethylpiperazine-1-dithiocarbamato-κ2
S,S′)tin(IV)
Authors: Li Jun-Ying , Li Tian-Duo
Published: March 2007

In the title complex, [Sn(C7H6Cl)2(C7H13N2S2)Cl], the Sn atom is five-coordinate in a trigonal–bipyramidal geometry. One Sn—S bond is markedly longer than the other for the chelating dithiocarbamate ligand.
Tris(glycinato-κ2
N,O)cobalt(III)
Authors: Gu Ke-Qiang , Sun Yu-Xi , Zhang Ran , Zhang Nian-Wei , Che Hong-Wen
Published: March 2007

The title compound, [Co(C2H4NO2)3], is a mononuclear cobalt(III) complex. The CoIII atom is six-coordinated by three N atoms and three O atoms from three chelating glycinate ligands, forming a slightly distorted octahedral configuration. In the crystal structure, the molecules are linked together by intermolecular N—H...O hydrogen bonds, forming a three-dimensional network.
2-(4-Bromophenyl)-1H-benzimidazole
Authors: Rashid Naghmana , Tahir Muhammad K. , Yusof Nurdiyana M. , Yamin Bohari M.
Published: March 2007

In the title compound, C13H9BrN2, the dihedral angle between the benzimidazole and benzene ring systems is 26.71 (9) Å. The molecules are linked by intermolecular N—H...N hydrogen bonds to form infinite chains parallel to the b axis.
3β-Acetoxy-6α-chloro-5β-hydroxyandrostan-17-one
Authors: Xia Chun-Nian , Hu Wei-Xiao , Zhou Wei , Li Bi-Wen
Published: March 2007

In the title molecule, C21H31ClO4, rings A, B and C have regular chair conformations, while ring D has an envelope form. In the crystal structure, weak intermolecular C—H...O hydrogen bonds link the molecules into zigzag chains running along the b axis.
(1R*,5R*,7R*,8S*)-3-(3,4-Dihydroxybenzoyl)-4-hydroxy-8-methyl-1,5,7-tris(3-methyl-2-butenyl)-8-(4-methyl-3-pentenyl)bicyclo[3.3.1]non-3-ene-2,9-dione
Authors: Ndjakou Lenta Bruno , Noungoue Diderot Tchamo , Devkota Krishna Prasad , Fokou Patrice Aime , Ngouela Silvere , Tsamo Etienne , Sewald Norbert
Published: March 2007

The title compound, C38H50O6, also known as guttiferone A, was isolated from the medicinal plant Symphonia globulifera. It is a benzophenone derivative where one aryl group is derivatized to give a bicyclic system which has two prenyl groups attached to the bridgehead. One of the cyclohexane rings in the bicyclic system is in a chair form, while the other has a distorted half-chair conformation. In addition to an intramolecular O—H...O hydrogen bond, intermolecular O—H...O hydrogen bonds link molecules into one-dimensional chains.
trans-Diaquabis(N,N′-dimethylethylenediamine)nickel(II) naphthalene-2,6-disulfonate
Authors: Lian Zhao-Xun , Li Hao-Hong
Published: March 2007

In the title compound, [Ni(C8H12N2)2(H2O)2](C10H6O6S2), the metal center, located on a crystallographic inversion center, is coordinated by four N atoms and two aqua ligands in an octahedral coordination geometry. The hexacoordinated nickel(II) complex cations are held together via N—H...O and O—H...O hydrogen bonds, resulting in infinite chains, which are connected by centrosymmetric naphthalene-2,6-disulfonate ligands as linkers, generating a two-dimensional hydrogen-bonded network.
6-Hydroxy-1-(4-hydroxybenzyl)-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium thiocyanate
Authors: Yang Jian , Zhao Wei
Published: March 2007

The N-containing ring of the tetrahydroisoquinolinium ion of the title compound, C19H24NO3
+·SCN−, has a half-chair conformation. There is a network of hydrogen bonds between the phenolic groups and thiocyanate anions.
1-(4-Bromophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-1-one
Authors: Wang Chen-Yi , Xia Ping , Han Zhi-Ping , Shen Rong-Ming , Cui Nan
Published: March 2007

In the asymmetric unit of the title compound, C11H10BrN3O, there are two independent molecules. The dihedral angles between the benzene and triazole rings in the two independent molecules are 84.1 (2) and 65.1 (2)°.
catena-Poly[[bis(O,O′-diisopropyl dithiophosphato-κ2
S,S′)zinc(II)]-μ-1,2-di-4-pyridylethylene-κ2
N:N′]
Authors: Welte William B. , Tiekink Edward R. T.
Published: March 2007

In the zigzag polymeric title compound, [Zn{S2P(OiPr)2}2{NC5H4C(H)=C(H)C5H4N}]
n
or [Zn(C6H14O2PS2)2(C12H10N2)]
n
, the Zn atom adopts a distorted tetrahedral ZnN2S2 geometry.
(E)-4-[(2-Bromobenzylidene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Authors: Zhang Chun-Niu , Yang Ming-Hua , Yan Guo-Bing , Zhou Ying-Ming
Published: March 2007

In the title compound, C18H16BrN3O, the pyrazole ring is planar but substituent atoms are displaced from the mean plane. Weak C—H...Br and C—H...O hydrogen bonding between molecules helps to stabilize the crystal structure.
2-[4-(tert-Butylsulfanyl)benzyl]-9,9-diethyl-9H-fluorene
Authors: Fan Jian-Dong , Yu Wen-Tao
Published: March 2007

In the title compound, C27H30S, the dihedral angle between the fluorene and benzene ring systems is 37.6 (5)°.
(E)-3-[(2-Bromophenyl)iminomethyl]benzene-1,2-diol
Authors: Temel Ersin , Albayrak Çiğdem , Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: March 2007

The title compound, C13H10BrNO2, crystallizes in an enol–imine form. The molecule is roughly planar, with a dihedral angle of 5.13 (10)° between the aromatic rings. Intramolecular O—H...N hydrogen bonding generates an S(6) ring motif, whereas intermolecular O—H...O hydrogen bonding links the molecules into centrosymmetric R
2
2(10) dimers.
{N,N-Bis[(diphenylphosphino)methyl]aniline}tetracarbonylmolybdenum(0)
Authors: Sanchez Ballester Noelia M. , Elsegood Mark R. J. , Smith Martin B. , Brown Gavin M.
Published: March 2007

The title compound, [Mo(CO)4{Ph2PCH2N(Ph)CH2PPh2}] or [Mo(C32H29NP2)(CO)4], is a tetracarbonylmolybdenum(0) complex of a chelating ditertiary phosphine with a P—C—N—C—P backbone. The geometry at the Mo centre is octahedral, while both diphenylphosphino centres coordinate in a cis fashion.
1,9′-Dimethyl-2′,4′-diphenyl-4′,9′-dihydro-2′H-spiro[indoline-3,3′-thiopyrano[2,3-b]indole]-2-thione
Authors: Hojabri Leila , Matloubi Firouz M. , Khavasi Hamid Reza
Published: March 2007

The title compound, C32H26N2S2, is a new spiro thiooxindole derivative which was synthesized with the aim that it might be effective in treating a number of diseases. In spite of the existence of the Csp
3 atom, the thiooxindole group is almost planar. There are a number of intramolecular C—H...S hydrogen bonds.
N-Benzyl-2-nitro-N-(4-pyridylmethyl)benzenesulfonamide
Authors: Zhang Ying-Ying , Li Jiang-Sheng , Zhou Xiao-Li , Fan Xiao-Peng
Published: March 2007

In the crystal structure of the title compound, C19H17N3O4S, C—H...O interactions result in zigzag molecular chains, packed via π–π interactions.
Dichloro(ethanol-κO){(E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazonato-κ3
N,N′,S}indium(III)
Authors: Fan Ying-Ju , Wang Le , Ma Jian-Ping , Sun Zhong-Xi
Published: March 2007

Reaction of indium(III) chloride with (E)-1-[1-(2-pyridyl)ethylidene]thiosemicarbazide afforded the title complex, [In(C8H9N4S)Cl2(C2H5OH)]. The ligand is in the enol form coordinating to the InIII atom through one S atom and two N atoms. The InIII atom is further coordinated by two Cl atoms and an ethanol molecule to complete a distorted octahedral coordination geometry.
Bis(diphenylmethylphosphine-κP)(disulfurdinitrido-κ2
N,S)platinum(II) dichloromethane solvate
Authors: Read Benjamin D. , Slawin Alexandra M. Z. , Woollins J. Derek
Published: March 2007

The title compound, [Pt(N2S2)(C13H13P)2]·CH2Cl2, contains PtII in a square-planar coordination. The five-membered PtS2N2 ring contains two short and one long S—N bonds. Interestingly, the S—N bond lengths have a different pattern from those in the PMe2Ph analogue and one of the published PPh3 analogues, but are comparable with those in most other systems containing the disulfurdinitride anion.
Quinidine sesquihydrate
Authors: Guo Min-Jie , Zhang Shu-Juan , Sun Dong-Lan , Fan Zhi
Published: March 2007

In the asymmetric unit of the title compound, C20H24N2O2·1.5H2O, there are two independent quinidine [systematic name: (1S,3R,4S,8R,9S)-4-[hydroxy(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)methyl]-6-methoxyquinoline] molecules and three water molecules. Intermolecular O—H...O and O—H...N hydrogen bonds stabilize the crystal structure.
Gelsevirine hydrochloride
Authors: Han Hai-Bin , Yuan Zhong , Xiao Kai , Chen Min-Qin , Zhang Liming
Published: March 2007

At 293 K, a crystalline terpenoid indole alkaloid, the title compound, C21H25N2O3
+·Cl−, has been isolated from Gelsemium elegans Benth, a Chinese folk medicine plant. Structural ambiguities have been resolved by the X-ray crystallographic analysis. Intramolecular C—H...O and intermolecular C—H...Cl, C—H...O and N—H...Cl hydrogen bonds help to stabilize the structure.
N-(2,6-Dichlorobenzyl)phthalimide
Authors: Huang Peng-Mian , Yang Dao-Wu
Published: March 2007

In the title compound, C15H9Cl2NO2, the dihedral angle between the phthalimide ring system and the dichlorobenzene ring is 93.5 (4)°.
Aquabis(dichloroacetato-κO)bis(nicotinamide-κN)copper(II)
Authors: Moncol Jan , Maroszová Jaroslava , Múdra Marcela , Lis Tadeusz , Koman Marian
Published: March 2007

In the title compound, [Cu(Cl2CHCO2)2(C6H6N2O)2(H2O)], both the CuII atom and the O atom of the coordinated water molecule lie on a crystallographic twofold rotation axis. The CuII atom is coordinated by O atoms from two monodentate chloroacetate anions, pyridine N atoms from two monodentate nicotinamide ligands and by the water molecule, forming a tetragonal–pyramidal coordination polyhedron. The complexes are linked by O—H...O, N—H...O and C—H...O hydrogen bonds into a three-dimensional network.
5-Chloro-3-methylsulfinyl-2-phenyl-1-benzofuran
Authors: Choi Hong Dae , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: March 2007

The title compound, C15H11ClO2S, was prepared by the oxidation of 5-chloro-3-methylsulfanyl-2-phenyl-1-benzofuran using 3-chloroperbenzoic acid. The 1-benzofuran ring system is almost planar. The crystal structure is stabilized by weak aromatic π–π stacking and –CH2—H...π interactions.
N-{(Z)-2-[1-(Triisopropylsilyl)-1H-indol-3-yl]-2-(triisopropylsilyloxy)vinyl}-2-(3,4,5-trimethoxyphenyl)acetamide
Authors: Peifer Christian , Selig Roland , Schollmeyer Dieter , Laufer Stefan
Published: March 2007

The molecular structure of the title compound, C39H62N2O5Si2, obtained as an unexpected side product, was determined in the course of our studies on the synthesis of N-triisopropyl-1H-indol-3-yl derivatives. Interestingly, although the triisopropylsilyl group was intended as a temporary protecting group, the compound comprises a remarkably stable N—Si bond. The vinyl C=C double bond possesses a Z configuration.
Bis(μ-N-tert-butyl-2-{N-[2-(dimethylamino)ethyl]-N-methylamino}ethanaminato)dilithium(I)
Authors: Chrzanowski Lars S. von , Lutz Martin , Spek Anthony L.
Published: March 2007

The title compound [Li2(C11H26N3)2], is a dimer chelate complex and features a planar Li2N2 ring with an Li...Li distance of 2.449 (3) Å and a bicyclic ring system. The coordination geometry of both Li atoms is distorted tetrahedral, each Li unit being surrounded by two amide and two amine N atoms.
(4-Hydroxycinnamato)[tris(N-methylbenzimidazol-2-ylmethyl)amine]copper(II) perchlorate dimethylformamide hemisolvate
Authors: Wu Hui-Lu , Ma Xing-Ke , Lv Wei-Bing , Liu Peng , Liu Ji-Gang
Published: March 2007

In the title complex, [Cu(C9H7O3)(C27H27N7)]ClO4·0.5C3H7NO, the CuII ion five-coordinate with an N4O ligand set and has a distorted trigonal–bipyramidal geometry.
trans-4,4′-Azopyridine N,N′-dioxide dihydrochloride
Authors: Song Hui-Hua , Ma Bao-Qing
Published: March 2007

The title compound is a salt, trans-1,1′-dihydroxy-4,4′-diazenediyldipyridinium dichloride, C10H10N4O2
2+·2C l−, in which the trans-4,4′-azopyridine N,N′-dioxide cation is located on an inversion centre with the pyridine N-oxide atoms protonated. The Cl− anions form strong hydrogen bonds to these H atoms. Weak C—H...Cl hydrogen bonds link the cations and anions into a two-dimensional sheet.
The ethyl tetraester of ranelic acid
Authors: Wei Hong-Tao , Ji Min
Published: March 2007

The title compound, 5-[bis(ethoxycarbonylmethyl)amino]-4-cyano-2-ethoxycarbonyl-3-thiophenepropionate, C20H26N2O8S, is a highly substituted thiophene ring with a crystal structure stabilized by intermolecular C—H...O hydrogen bonds, which are, however, weak in strength.
catena-Poly[[bis(O,O′-dicyclohexyl dithiophosphato-κ2
S,S′)nickel(II)]-μ-4,4′-bipyridine-κ2
N:N′]
Authors: Berdugo Erick , Tiekink Edward R. T. , Wardell James L. , Wardell Solange M. S. V.
Published: March 2007

The Ni atom in the linear polymeric title complex, [Ni{S2P(OC6H11)2}2(NC5H4C5H4N)]
n
or [Ni(C12H22O2PS2)2(C10H8N2)]
n
, is octahedrally coordinated within a trans-N2S4 donor set. The Ni atom and the N atoms of the 4,4′-bipyridine ligand are located on a twofold axis.
9-(Bromoacetyl)anthracene
Authors: Kubo Kanji , Watanabe Kenichiro , Sakurai Tadamitsu
Published: March 2007

In the title compound, C16H11BrO, the bromoacetyl group makes an angle of 105.8 (1)° with the anthracene ring system. The crystal packing is consolidated by C—H...π, Br...π and C—H...O interactions.
2,5-Dioxopyrrolidin-1-yl methanesulfonate
Authors: Stefanowicz Piotr , Jaremko Łukasz , Jaremko Mariusz , Lis Tadeusz
Published: March 2007

The title compound, C5H7NO5S, is an ester of methanesulfonic acid and N-hydroxysuccinimide in which the N atom has a flattened pyramidal geometry. The molecular arrangement is stabilized by C—H...O hydrogen bonds, forming double-layer sheets that are linked via short C=O...C=O carbonyl–carbonyl interactions to generate a three-dimensional network.
Bis{(Z)-N′-(2,4-dichlorobenzylidene)-2-hydroxybenzohydrazide-κ2
N′,O}bis(pyridine-κN)cobalt(II). Corrigendum
Authors: Qiu Xiao-Yang , Yang Sen-Lin , Liu Wei-Sheng , Zhu Hai-Liang
Published: March 2007

In the original paper by Qiu, Yang, Liu & Zhu [Acta Cryst. (2006), E62, m1320–m1231], the H atoms attached to N1 and N3 are positioned incorrectly. These have been deleted and the structure rerefined. The correct name of the structure is bis(2,4-dichlorobenzaldehyde 2-hydroxybenzoylhydrazonato-κ2
N,O)bis(pyridine-κN)cobalt(II). The scheme, figure, Crystal data, Refinement and hydrogen-bond table are corrected.
5-Bromo-3-methylsulfinyl-2-phenyl-1-benzofuran
Authors: Choi Hong Dae , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: March 2007

The title compound, C15H11BrO2S, was prepared by oxidation of 5-bromo-3-methylsulfanyl-2-phenyl-1-benzofuran using 3-chloroperbenzoic acid. The crystal structure is stabilized by aromatic π–π stacking and CH2—H...π interactions.
(±)-Methyl 1-oxo-1H-spiro[benzo[c]pyran-3(4H),1′-cyclohexane]-4-carboxylate
Authors: Öztürk Yıldırım Sema , Akkurt Mehmet , Bogdanov Milen G. , Kandinska Meglena I. , Kazak Canan
Published: March 2007

The molecule of the title compound, C16H18O4, is non-planar and the pyran ring adopts a half-chair conformation. Intermolecular C—H...O hydrogen-bond contacts link the molecules in the crystal structure, forming dimers approximately parallel to (011).
(2E)-3-(Biphenyl-4-yl)-1-(2,4-dichlorophenyl)prop-2-en-1-one
Authors: Fischer Andreas , Yathirajan H. S. , Ashalatha B. V. , Narayana B. , Sarojini B. K.
Published: March 2007

The title compound, C21H14Cl2O, was prepared from biphenyl-4-carbaldehyde and 2,4-dichloroacetophenone. Single crystals were obtained from acetone. The compound crystallizes with four molecules in the asymmetric unit, all of which deviate significantly from planarity.
(2E)-3-(Biphenyl-4-yl)-1-(4-chlorophenyl)prop-2-en-1-one
Authors: Fischer Andreas , Yathirajan H. S. , Ashalatha B. V. , Narayana B. , Sarojini B. K.
Published: March 2007

The title compound, C21H15ClO, was prepared from biphenyl-4-carbaldehyde and 4-chloroacetophenone. Single crystals were obtained from acetone. The compound is isostructural with the corresponding Br compound. The molecule deviates significantly from planarity.
(2E)-3-(Biphenyl-4-yl)-1-phenylprop-2-en-1-one
Authors: Fischer Andreas , Yathirajan H. S. , Ashalatha B. V. , Narayana B. , Sarojini B. K.
Published: March 2007

The title compound, C21H16O, was prepared from biphenyl-4-carbaldehyde and acetophenone. The molecule is essentially planar.
catena-Poly[[dibutyltin(IV)]-μ-3,4,5,6-tetrafluorobenzene-1,2-dicarboxylato-κ4
O
1,O
1′:O
2,O
2′]
Authors: Han Yawen , Zhang Rufen , Wang Daqi
Published: March 2007

The crystal structure determination of the title compound, [Sn(C4H9)2(C8F4O4)]
n
, revealed an infinite polymeric chain in the solid state. The Sn atom is in a distorted sixfold coordination between bicapped tetrahedral and skew-bipyramidal.
Redetermination of 1-acenaphthenol
Authors: Marciniak Bernard
Published: March 2007

The crystal structure determination of the title compound, C12H10O, has been reported previously [Gupta & Gupta (1975). Acta Cryst. B31, 7–9], with an R value of 0.078. The results reported here are in agreement with the literature data but a more precise molecular geometry is obtained (σ on C—C = 0.002 Å). Intermolecular O—H...O hydrogen bonds connect molecules into a chain running parallel to the [010] direction. This chain is reinforced by two C—H...π interactions.
Cyclodimerization product of benzooxanorbornadiene
Authors: Lough Alan J. , Allen Anna , Tam William
Published: March 2007

The crystal structure determination of the title compound, (6aS*,6bR*,7R*,12R*,12aS*,12bS*)-7,12-epoxy-6a,6b,7,12,12a,12b-hexahydrodinaphtho[1,2-b;2,3-d]furan, C20H16O2, establishes the relative stereochemistry. There are four independent molecules in the asymmetric unit.
Di-μ-chloro-bis[trichloro(4-chloroaniline)zirconium(IV)]
Authors: Wei Hua , Li Ya-Hong , Zhang Yong
Published: March 2007

The title compound, [Zr2Cl8(C6H6ClN)2], is centrosymmetric. Each ZrIV ion has distorted octahedral coordination geometry, formed by one N atom from a 4-chloroaniline ligand, three terminal Cl− ions and two bridging Cl− ions. The Zr—μ-Cl bond distances are much longer than the other Zr—Cl bond distances.
Poly[[diaqua-μ6-succinato-di-μ5-succinato-dierbium(III)] monohydrate]
Authors: Li Feng
Published: March 2007

The title compound, {[Er2(C4H4O4)3(H2O)2]·H2O}
n
, is isostructural with other Ln–succinates of the same formula. The ErIII atom is nine-coordinated by O atoms.
catena-Poly[[diiodidomercury(II)]-μ-N,N′-p-phenylenebis(pyridine-3-carboxamide)-κ2
N:N′]
Authors: Zhu Ying-Gui , Gao Feng
Published: March 2007

Crystals of the title compound, [HgI2(C18H14N4O2)]
n
, were obtained by the reaction of HgI2 and p-phenylene-bis(pyridine-3-carboxamide) in DMF. The asymmetric unit is composed of only half of the formula unit; the mercury atom lies on a crystallographic twofold rotation axis, and there is an inversion centre at the centre of the benzene ring. Each HgII atom is coordinated by two I atoms and two N atoms from two p-phenylene-bis(pyridine-3-carboxamide) (bpfb) ligands, in a distorted tetrahetral geometry. Bpfb acts as a bifunctional bridging ligand, linking HgII atoms into a one-dimensional chain. Hydrogen-bonding interactions between the O atom and the H atoms of bpfb ligands result in a two-dimensional supramolecular network.
[1-(Benzylsulfonyl)-3-(4-nitrophenyl)-1,2,3,4-tetrahydroquinoxalin-2-yl](4-bromophenyl)methanone 2-methylpropanol hemisolvate
Authors: Borbulevych Oleg Ya.
Published: March 2007

In the title compound, C28H22BrN3O5S·0.5C4H10O, the tetrahydropyrazine ring adopts a distorted half-chair conformation. The bromobenzaldehyde substituent has an axial orientation, while the 4-nitrophenyl group is in an equatorial position. The benzene rings of these substituents are not parallel, but are partially involved in intramolecular π–π stacking. In the crystal structure, the methanone molecules form a centrosymmetric dimer via intermolecular N—H...O hydrogen bonds.
(2RS,5SR,6SR)-Ethyl 2,6-bis(4-fluorophenyl)-4-hydroxy-5-phenylsulfanyl-1,2,5,6-tetrahydropyridine-3-carboxylate
Authors: Suresh J. , Kumar R. Suresh , Perumal S. , Natarajan S.
Published: March 2007

The title compound, C26H23F2NO3S, a polysubstituted piperidine enol, adopts a twisted half-chair conformation. The crystal structure is stabilized by N—H...F, C—H...O and weak C—H...π interactions. An intramolecular O—H...S interaction generates an S(5) graph-set motif.
Dichloridotris(2-methyl-1H-imidazole-κN
3)copper(II)
Authors: Qiu Xiao-Yong , Wang Zuo-Xiang , Zhou Bu-Gao , Wu Ping-Feng
Published: March 2007

In the title compound, [CuCl2(C4H6N2)3], the Cu ion has a distorted trigonal–bipyramidal geometry of composition CuCl2N3. The Cu atom lies on a mirror plane.
meso-(5,5,7,12,12,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene)nickel(II) bis[dioxalato(1,10-phenanthroline)chromate(III)] octahydrate
Authors: Wang Wen-Bo , Yang Li-Xin , Lin Yang
Published: March 2007

The asymmetric unit of the title complex, [meso-Ni(1,7-CT)][Cr(C2O4)2(phen)]2·8H2O (1,7-CT is 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene; phen is 1,10-phenanthroline) or [Ni(C16H32N4)][Cr(C2O4)2(C12H8N2)]2·8H2O, consists of one-half of an [Ni(1,7-CT)]2+ cation, one [Cr(C2O4)2(phen)]− anion and four water molecules of crystallization. The NiII atom (site symmetry \overline{1}) is coordinated by four N atoms from the tetraazamacrocycle in a square-planar geometry, while the CrIII centre has a distorted cis-CrN2O4 octahedral geometry. A network of π–π stacking interactions and O—H...O and N—H...O hydrogen bonds helps the formation of a three-dimensional structure.
(2,2′-Bipyridine)tetracarbonylmolybdenum(0)
Authors: Braga Susana S. , Coelho Ana C. , Gonçalves Isabel S. , Almeida Paz Filipe A.
Published: March 2007

In the title compound, [Mo(C10H8N2)(CO)4], the Mo atom adopts a distorted cis-MoN2C4 octahedral geometry. The crystal packing is consolidated by π–π contacts and C—H...O interactions.
2-(4-Methylbenzoyloxymethyl)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)tetrahydrofuran-3-yl 4-methylbenzoate
Authors: Yathirajan H. S. , Mayekar Anil N. , Sarojini B. K. , Narayana B. , Bolte Michael
Published: March 2007

The title compound, C26H26N2O7, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H...O hydrogen bond, several weak C—H...O hydrogen bonds and a π–π stacking interaction.
Hexaaquamagnesium(II) 2-methyl-5-nitrobenzenesulfonate dihydrate
Authors: Xie Yong-Rong , Ge Gen-Wu , Yuan Xiao-Yong , Wan Dong-Bei , Yang Rui-Qing
Published: March 2007

In the title complex, [Mg(H2O)6](C7H6NO5)2·2H2O, the MgII cation lies on an inversion center and is octahedrally coordinated by six water molecules. The 2-methyl-5-nitrobenzenesulfonate anions do not coordinate to the magnesium, but act as counter-anions. The crystal structure is composed of alternating layers of [Mg(H2O)6]2+ cations and anions. The [Mg(H2O)6]2+ cations, water molecules and anions are connected through a complex pattern of hydrogen-bonding interactions, resulting in a three-dimensional supramolecular network.