bluuebunny/crossref_metadata_2025 huggingface dataset:
1,4-Bis(5,5-dimethyl-2-oxo-4-phenyl-1,3,2-dioxaphosphorinan-2-yl)piperazine
Authors: Chen Xuemei , Xiao Wensheng , Jiao Ping
Published: November 2007

The title compound, C26H36N2O6P2, possesses a crystallographically imposed inversion centre. The molecules are linked into a one-dimensional structure along the c axis by a centrosymmetric system of weak C—H...O hydrogen bonds.
2-Methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol
Authors: Li He-Bing
Published: November 2007

The title Schiff base compound, C14H14N2O2, displays an E configuration with respect to the C=N double bond. The dihedral angle between the benzene and pyridine rings is 5.4 (2)°.
Dimethyl(1,10-phenanthroline)bis(2,3,4,5-tetrafluorobenzoato)tin(IV)
Authors: Sun Junshan , Ma Chunlin , Zhang Rufen
Published: November 2007

The title compound, [Sn(CH3)2(C7HF4O2)2(C12H8N2)], was synthesized by the reaction of dimethyltin(IV) dichloride and disodium 2,3,4,5-tetrafluorobenzoate in the presence of 1,10-phenanthroline. In the complex, the SnIV ion is coordinated by three O atoms of two tetrafluorobenzoate ligands, two N atoms of a 1,10-phenanthroline ligand and two methyl groups in a distorted pentagonal–bipyramidal coordination. The axial positions are occupied by the methyl groups. In the crystal structure, C—H...F and C—H...O hydrogen bonds link the molecules into cyclic centrosymmetric dimers.
2-Methylthiosemicarbazide
Authors: Klapötke Thomas M. , Sproll Stefan M.
Published: November 2007

The crystal structure of the title compound, C2H7N3S, displays N—H...S and N—H...N hydrogen bonding.
2-Ammonio-3-carboxy-5-nitrobenzoate monohydrate
Authors: Liu T. , Zhu J. Y.
Published: November 2007

In the crystal structure of the title compound, C8H6N2O6·H2O, intramolecular N—H...O and intermolecular O—H...O, O—H...N, N—H...N and N—H...O hydrogen bonds result in the formation of a supramolecular network structure.
2,4,4-Trimethyl-N-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide
Authors: Thiruvalluvar A , Ponnuswamy S
Published: November 2007

In the title compound, C19H23N3O, the seven-membered diazepine ring adopts a boat conformation. The phenylcarbamoyl group is coplanar with the N atom and its two attached C atoms. The methyl group at position 2 has an equatorial orientation. The dihedral angle between the two benzene rings is 81.07 (9)°. The crystal structure is stabilized by intramolecular C—H...O and intermolecular N—H...O hydrogen bonds.
catena-Poly[[cobalt(II)-μ-[N,N′-1,3-bis(imidazol-1-ylmethyl)benzene]-κ2
N
3:N
3′-μ-(5-carboxybenzene-1,3-dicarboxylato)-κ2
O
1:O
3] monohydrate]
Authors: Liu Ying-Ying , Ma Jian-Fang , Wei Guo-Hua
Published: November 2007

The title CoII coordination polymer, {[Co(C9H4O6)(C14H14N4)]·H2O}
n
, was obtained by reaction of Co(NO3)2·6H2O, benzene-1,3,5-tricarboxylic acid (H3BTC) and 1,3-bis(imidazol-1-ylmethyl)benzene (L). Each CoII cation is four-coordinated by an O2N2 donor set in a distorted tetrahedral geometry. The CoII centers are connected into a one-dimensional double-stranded chain by HBTC anions and L ligands. The chains are further connected through hydrogen-bonding interactions between the hydroxyl groups of adjacent HBTC anions and face-to-face π–π interactions between the benzene rings of adjacent L ligands [average face-to-face distance of 3.427 (3) Å], resulting in the formation of a three-dimensional supramolecular structure.
Bis[N-(8-quinolyl)pyridine-2-carboxamidato]iron(III) perchlorate monohydrate
Authors: Li Zhongfang , Wang Suwen , Zhang Qian , Yu Xianjin
Published: November 2007

The asymmetric unit of the title compound, [Fe(C15H10N3O)2]ClO4·H2O, contains one iron(III) cation chelated by two N-(8-naphthyl)-2-pyridine-2-carboxamidate ligands via six N atoms, exhibiting an octahedral coordination geometry, a perchlorate anion and a water molecule. The Fe—N bond lengths are in the range 1.880 (3)–1.972 (3) Å. Each ligand is planar (r.m.s. deviations = 0.0314 and 0.0282 Å). The dihedral angle between the two ligand planes is 86.55 (1)°. There is a weak intermolecular hydrogen bond between the water and the perchlorate groups.
Dibromido-2κ2
Br-bis(4-methylpyridine-1κN){μ-2,2′-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato-1κ4
O,N,N′,O′:2κ2
O,O′}nickel(II)zinc(II)
Authors: Tatar Yıldırım Leyla , Atakol Orhan
Published: November 2007

The molecule of the title compound, [NiZnBr2(C17H16N2O2)(C6H7N)2], contains a heterodinuclear arrangement. The two metal ions are bridged via phenol O atoms of the propane-1,3-diylbis(nitrilomethylidyne)]diphenolate (salpd2−) ligand. The two bridging O atoms of salpd2− and two Br atoms constitute a distorted tetrahedral coordination environment around the ZnII ion, while the NiII ion has a distorted octahedral coordination environment formed by two O and two N atoms of salpd2− in the equatorial plane and two N atoms of two 4-methylpyridine ligands in the axial positions. In the crystal structure, weak intermolecular C—H...Br hydrogen bonds link the molecules into chains along the c axis. Weak intramolecular C—H...O and C—H...N hydrogen bonds are also present.
2-(4-Bromophenyl)-5,7-dimethyl-3-methylsulfinyl-1-benzofuran
Authors: Choi Hong Dae , Seo Pil Ja , Son Byeng Wha , Lee Uk
Published: November 2007

The title compound, C17H15BrO2S, was prepared by the oxidation of 2-(4-bromophenyl)-5,7-dimethyl-3-methylsulfanyl-1-benzofuran using 3-chloroperbenzoic acid. The 4-bromophenyl ring is rotated out of the benzofuran plane, with a dihedral angle of 19.3 (2)°. The O atom and the methyl group of the methylsulfinyl substituent lie on opposite sides of the plane of the benzofuran fragment. The crystal structure is stabilized by a C—H...O hydrogen bond, and a Br...O halogen bond with a Br...O distance of 3.209 (6)Å and a nearly linear C—Br...O angle of 165.1 (2)°.
3-(3-Methoxyanilino)isobenzofuran-1(3H)-one
Authors: Odabaşoğlu Mustafa , Büyükgüngör Orhan
Published: November 2007

The crystal structure of the title compound, C15H13NO3, is stabilized by inversion-related N—H...O and C—H...O intermolecular hydrogen bonds and C—H...π interactions. The N—H...O hydrogen bonds generate two C(6) chains, one within the other, and these chains are linked by C—H...O intermolecular hydrogen bonds forming R
4
4(21) ring motifs. The phthalide part of the molecule is planar, and the dihedral angle between the phthalide group and the other benzene ring is 62.81 (8)°.
1-Ethyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Authors: Lou Benyong , Boström Dan , Velaga Sitaram P.
Published: November 2007

The formylation reaction of norfloxacin with N,N-dimethylformamide (DMF) gives the title compound, C17H18FN3O4. In the structure, molecules are connected via weak C—H...O, C—H...π and π–π interactions [perpendicular distance 3.423 Å and centroid–centroid distance 3.8141 Å].
2-(Morpholin-4-ylmethyl)isoindole-1,3-dione
Authors: Sakthivel P. , Joseph P. S. , Sebastiyan A. , Ramesh M. , Suvaikin M. Yosuva
Published: November 2007

In the title compound, C13H14N2O3, the morpholine ring adopts the usual chair conformation. The crystal structure is stabilized by weak C—H...O hydrogen-bond interactions.
2,3-Dichlorophenyl benzoate
Authors: Gowda B. Thimme , Foro Sabine , Babitha K. S. , Fuess Hartmut
Published: November 2007

The structure of the title compound (23DCPBA), C13H8Cl2O2, resembles that of phenyl benzoate (PBA), 2,6-dichlorophenyl benzoate (26DCPBA) and 3,4-dichlorophenyl benzoate (34DCPBA), with similar geometric parameters. The dihedral angle between the phenyl and benzoyl rings in 23DCPBA is 50.16 (7)°, compared to the value of 55.7° for PBA, 75.75 (10)° for 26DCPBA and 53.77 (5)° for 34DCPBA.
Aquabis(4-formylbenzoato)-κ2
O,O′;κO-(1,10-phenanthroline-κ2
N,N′)cadmium(II)
Authors: Deng Zhao-Peng , Gao Shan , Huo Li-Hua , Zhao Hui
Published: November 2007

The CdII atom in the title complex, [Cd(C8H5O3)2(C12H8N2)(H2O)], is coordinated by three O atoms of two formylbenzoate ligands, two N atoms of a 1,10-phenanthroline ligand and one water molecule, giving rise to a trigonal–prismatic coordination geometry. Adjacent complex molecules are linked into a two-dimensional layer structure via hydrogen-bonding interactions.
(RS,RS)-5-[Hydroxy(4-methylphenyl)methyl]furan-2(5H)-one
Authors: Ollevier Thierry , Bouchard Jean-Emmanuel , Desyroy Valerie , Tessier Christian
Published: November 2007

The crystal structure of the racemic title compound, C12H12O3, allowed the determination of the relative configuration at the two stereogenic centers. For the R,R isomer, the O—C—C—O and C—C—C—C torsion angles around the bond between the two methine C atoms are 62.38 (15) and −175.49 (13)°, respectively. The furan and tolyl groups are almost perpendicular, with a dihedral angle of 79.39 (5)°. Strong and linear intermolecular O—H...O hydrogen bonding (H...O = 2.04 Å and O—H...O = 177°) is observed between the hydroxyl group and the C=O oxygen.
N-(4-Propoxyphenyl)acetamide
Authors: Slawin Alexandra M. Z. , Harrison William T. A.
Published: November 2007

The non-H atoms of the title compound, C11H15NO2, are approximately coplanar. In the crystal structure, an N—H...O hydrogen bond leads to C(4) chains of molecules propagating along [010].
Methyl 1-deoxy-1-(N
1-thyminyl)-β-D-psicofuranoside
Authors: Roivainen Jarkko , Reuter Hans , Mikhailopulo Igor A. , Eickmeier Henning
Published: November 2007

In the structure of the title compound, C12H18N2O7, the furanosyl ring adopts the S-type sugar pucker with the following pseudorotational parameters: PS
= 159.6° (C2′-endo according to the designation of the ribofuranose ring of natural nucleosides; C3′-endo according to the numbering of the title compound) and νmax = 35.9°. The conformation around the C5′—C6′ bond is ap (gauche–trans; gt; −g), with a torsion angle γ of −170.3 (2)°. The structure of the thymine base is very similar to that of thymidine. There are intermolecular N—H...O and O—H...O hydrogen bonds.
Dichlorido[(3,5-dimethyl-1H-pyrazol-1-yl)methane]copper(II)
Authors: Malinowska Katarzyna , Modranka Roman
Published: November 2007

The title compound, [CuCl2(C11H16N4)], is isostructural with the previously characterized ZnII analogous complex. The CuII ion is four-coordinate in a CuCl2N2 distorted tetrahedral geometry. In the crystal structure, weak C—H...Cl interactions are observed.
N′-(Diphenylmethylene)-3-(3-nitrophenyl)-1′,3′-dioxospiro[cyclopropane-2′-indan]-2-carbohydrazide
Authors: Chakkaravarthi G. , Periyasamy G. , Raghunathan R. , Manivannan V.
Published: November 2007

In the title compound, C31H21N3O5, the indan ring system makes dihedral angles of 53.26 (6) with the nitrobenzene ring, and 66.50 (6) and 58.39 (7)° with the two phenyl rings. The crystal packing is stabilized by weak intermolecular N—H...O and C—H...O hydrogen bonds.
Dibromido(η5,η5-propane-2,2-diyldicyclopentadienyl)titanium(IV)
Authors: Erben Milan , Císařová Ivana , Dušek Michal , Vinklárek Jaromír , Picka Michal
Published: November 2007

In the molecule of the title compound, [TiBr2(C13H14)], the TiIV centre is in a distorted tetrahedral environment involving two η5-bonded cyclopentadienyl rings of a propane-2,2-diyldicyclopentadienyl ligand [Ti—Cg = 2.045 (2) Å; Cg is the centroid of the cyclopentadienyl ring] and two Br atoms [Ti—Br = 2.5115 (7) Å]. The presence of the short 2,2-propylidene bridge between the two cyclopentadienyl rings constrains the Cg—Ti—Cg angle to a value of 121.32 (9)°. The Ti and central C atoms are located on a crystallographic C
2 axis.
Hexaaquamanganese(II) bis[5-(4-nitrophenyl)tetrazolate]
Authors: Hu Bin , Xu Xiong-Bin , Li Yong-Xiu , Ye Heng-Yun
Published: November 2007

The title compound, [Mn(H2O)6](C7H4N5O2)2, was obtained by the in situ hydrothermal reaction of MnCl2 with 4-nitrobenzonitrile in the presence of NaN3. The Mn atoms are located on inversion centres. The structure comprises hydrogen-bonded sheets of deprotonated 5-(4-nitrophenyl)tetrazole anions and hexaaquamanganese(II) cations.
catena-Poly[[(2-amino-5-chlorobenzenesulfonato-κ2
N,O)silver(I)]-μ-2,5-dimethylpyrazine-κ2
N:N′]
Authors: Liu Hai-Yan , Ma Ji-Cheng , Yang Jin
Published: November 2007

The title compound, [Ag(C6H5ClNO3S)(C6H8N2)]
n
, has a chain structure, where the AgI cation is four-coordinated by three N atoms from two different 2,5-dimethylpyrazine molecules and an NH2 group of a 2-amino-5-chlorobenzenesulfonate anion, and one sulfonate O atom. N—H...O hydrogen bonds stabilize the structure.
catena-Poly[[silver(I)-μ-pyrazine-κ2
N:N′] perchlorate]
Authors: Song Wen-Dong , Gu Chang-Sheng , Yan Jian-Bin , Ng Seik Weng
Published: November 2007

In the title compound, [Ag(C4H4N2)]ClO4, pyrazine ligands bridge two symmetry-related Ag atoms [Ag—N = 2.222 (3) Å] to form linear polycationic chains which run along the c axis of the orthorhombic unit cell. The AgI ion has m2m site symmetry. The N atoms of the pyrazine ligand lie on a crystallographic mirror plane and each C atom of this ligand possesses crystallographically imposed disorder with two components of equal occupancy. The Cl atom of the perchlorate anion has m2m site symmetry and the two unique O atoms of this anion lie on a mirror plane. In addition, in the crystal structure, one-dimensional chains are linked through weak interactions involving perchlorate anions [Ag...O = 2.726 (2) Å] into a motif that can be described as a 4(4).6(2) sheet.
S-Methyl 5-methylpyrazine-2-carbothioate
Authors: Aubert Emmanuel , Mamane Victor , Fort Yves
Published: November 2007

The title compound, C7H8N2OS, can be a key synthetic intermediate for the preparation of various pyrazine compounds of biological interest. It was prepared by the hydrolysis of 2-tris(methylsulfanyl)methyl-5-methylpyrazine using the HgCl2/CaCO3 system. The molecule is quasi-planar; the H atoms of the methyl group linked to the pyrazine ring break the molecular mirror pseudosymmetry. One of these H atoms is involved in an intermolecular hydrogen bond with the carbonyl group of a neighbouring molecule. Two molecules related by an inversion centre interact through C—H...N hydrogen bonds, forming R
2
2(6) dimers. Neighbouring dimers interact through longer C—H...N contacts and form infinite planes parallel to (10\overline{3}). These planes interact together through C—H...O hydrogen bonds and π–π interactions (pyrazine centroids are separated by 3.99 Å and the interplanar spacing is 3.38 Å).
catena-Poly[silver(I)-μ-4-aminobenzenesulfonato-μ-2,3-diethylpyrazine]
Authors: Liu Hai-Yan , Ma Ji-Cheng , Yang Jin
Published: November 2007

In the title compound, [Ag(C6H6NO3S)(C8H8N2)], the AgI cation is four-coordinated by three N atoms from two different 2,3-diethylpyrazine ligands and one –NH2 group of a 4-aminobenzenesulfonate ligand, and one sulfonate O atom in a distorted tetrahedral coordination geometry. The AgI centers are doubly bridged by both types of ligands, forming a one-dimensional chain. N—H...O hydrogen bonds complete the structure.
Hexaaquanickel(II) chelidonate monohydrate
Authors: Yasodha Vaduganathan , Govindarajan Subbaiah , Manivannan V. , Büyükgüngör O.
Published: November 2007

In the title hydrated molecular salt, [Ni(H2O)6](C7H2O6)·H2O, the Ni cation adopts a slightly distorted octahedral geometry. In the crystal structure, the component species interact by way of O—H...O and weak C—H...O interactions, resulting in a three-dimensional network.
3,6-Diaminoacridinium perchlorate
Authors: Varga Richard A. , Rus Adina , Venter Monica M. , Negreanu-Pirjol Ticuta , Guran Cornelia
Published: November 2007

The structure of the title compound, C13H12N3
+·ClO4
−, reveals a twofold axis through the ring N and para-C atoms; a twofold rotation axis also passes through the Cl atom. The structure of the organic fragment is similar to that of homologous heterocyclic systems. The organic cations and perchlorate anions self-assemble in the solid state through C—H...O and N—H...O hydrogen bonds, leading to a two-dimensional layer parallel to the (112) plane. The layers are stacked along the c axis through offset π–π interactions between cations from different layers (the distance between the planes through two cations is 3.35 Å), resulting in a three-dimensional supramolecular architecture.
2-Methylquinolin-8-yl 2-nitrobenzoate
Authors: Lei Gang
Published: November 2007

In the title compound, C17H12N2O4, the quinoline ring system is essentially planar. The ester group is twisted away from the quinoline ring system and nitrobenzene ring by 84.83 (3) and 80.56 (4)°, respectively. The crystal packing is stabilized by C—H...O intermolecular hydrogen bonds, and π–π interactions between the quinoline ring systems of inversion-related molecules, with a centroid–centroid distance of 3.6346 (6) Å.
trans-(2,2′-Bipyridine)dichlorido[1-(4-methylphenylimino)-1-(phenylhydrazono)propan-2-one]ruthenium(II) dichloromethane solvate
Authors: Al-Noaimi Mousa , El-khateeb Mohammad , Görls Helmar
Published: November 2007

The title compound, [RuCl2(C10H8N2)(C16H15N3O)]·CH2Cl2, has a pseudo-octahedral coordination environment made up of two trans chloride ligands and four N-donor atoms, two of which are from the strong π-acceptor azoimine bidentate ligand. The two Cl atoms of the solvent molecule are disordered over two positions in an approximately 0.7:0.3 ratio.
2-{(1E)-1-[(4-Chlorophenyl)imino]ethyl}-4-methylphenol
Authors: Chang Jian-Guo
Published: November 2007

The title compound, C15H14ClNO, displays a trans configuration with respect to the C=N double bond [C—C=N—C = 175.3 (2)°], with a twist by 58.67 (8)° of the two benzene rings about the cental C=N bond. The crystal structure is stabilized by intramolecular O—H...N and intermolecular C—H...O hydrogen bonds.
trans-Tetraaquabis(2,6-dimethylpyridinium-3,5-dicarboxylato-κO)cobalt(II) tetrahydrate
Authors: Gao Jin-Sheng , Zhang Yi-Ming , Li Bai-Yan , Hou Guang-Feng
Published: November 2007

In the title compound, [Co(C9H8NO4)2(H2O)4]·4H2O, the Co atom lies on an inversion centre in an octahedral environment that is formed from two O atoms of two 2,6-dimethylpyridinium-3,5-dicarboxylate monoanions and four water molecules. Hydrogen bonds that involve the pyridinium NH groups and both coordinated and uncoordinated water molecules give rise to an infinite three-dimensional network.
Di-μ-hydroxido-bis[aquatrichloridotin(IV)] benzene hemisolvate monohydrate
Authors: Müller Manuela , Lerner Hans-Wolfram , Bolte Michael
Published: November 2007

In the title compound, [Sn2Cl6(OH)2(H2O)2]·0.5C6H6·H2O, the benzene molecule is located on a centre of inversion. The Sn atoms are in an octahedral environment, each coordinated by three Cl, one water and two briding hydroxide ligands. Two Cl atoms and the hydroxide groups are in the equatorial plane, whereas the third Cl atom and the water molecules are located in the axial positions.
Diaquabis[5-(pyrimidin-2-yl-κN)tetrazolato-κN
1]copper(II)
Authors: Jin Mei-Fang , Qiu Yu-E , Zhang Xiu-Ling
Published: November 2007

The title compound, [Cu(C5H3N6)2(H2O)2], is isostructural with the manganese(II) analogue, but different from the two-dimensional structures of the zinc(II), iron(II), cobalt(II) and nickel(II) complexes with the same 5-(pyrimidin-2-yl)tetrazolate ligand. Each of the two symmetry-independent but structurally similar mononuclear molecules in the crystallographic asymmetric unit occupies a special position with the CuII atom on an inversion centre. Both CuII atoms have a highly distorted octahedral coordination geometry formed by two trans water molecules and two chelating ligands. Intermolecular O—H...N hydrogen bonds are present, which lead to the formation of a two-dimensional network.
2,2′-Bipyridinium 1-oxide triiodide
Authors: Lin Xiao Lan , Wang Yun Jie , Chen Zhi Rong , Liu Ji Bo
Published: November 2007

The title compound, C10H9N2O+·I3
−, was obtained unintentionally as the product of an attempted synthesis of an iodoplumbate complex using NaI as a donor to provide I−. The cation is planar (r.m.s. deviation for all non-H atoms is 0.024 Å) and has an intramolecular N—H...O hydrogen bond.
Triaquatris(nitrato-κ2
O,O′)lanthanum(III) 4,4′-bipyridine disolvate
Authors: Li Nai-Gen , Tao Rui-Min , Fu Bang-Feng
Published: November 2007

The LaIII atom in the title complex, [La(NO3)3(H2O)3]·2C10H8N2, is irregularly coordinated by three O atoms of three water molecules and six O atoms of three NO3
− ligands. This mononuclear complex is further extended into a supramolecular network structure via O—H...O and O—H...N hydrogen bonds.
tert-Butyl N-(3,6-dihydro-1,2-dioxin-4-ylmethyl)carbamate
Authors: Sejer Pedersen Daniel , Taylor Dennis K. , Tiekink Edward R. T.
Published: November 2007

The six-membered ring in the title compound, C10H17NO4, has a half-chair conformation and lies to one side of the central chromophore. Molecules are connected into a supramolecular chain via N—H...O hydrogen-bonding interactions and these are consolidated into a three-dimensional structure via C—H...O interactions. Two C atoms and two O atoms in the ring are disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.
catena-Poly[[triaquacobalt(II)]-μ-5-hydroxybenzene-1,3-dicarboxylato-κO
1:O
3]
Authors: Hu Yue-Hua , Li Yi-Zhi , Zhang Rui-Long , Wu Jie-Ying
Published: November 2007

Crystals of the title compound, [Co(C8H4O5)(H2O)3]
n
, were obtained by hydrothermal methods. Each CoII ion is six-coordinated by two O atoms from one 5-hydroxybenzene-1,3-dicarboxylate (L) ligand, one O atom from another L ligand and three water molecules [Co—O = 2.016 (3)–2.324 (3) Å]. Each ligand L, acting in a tridentate mode, bridges two Co ions, resulting in the formation of polymeric zigzag chains extending along the [110] direction. The crystal packing is stabilized by an extensive network of O—H...O hydrogen bonds.
4-(4-Aminobenzyl)anilinium 2-hydroxy-2,2-diphenylacetate
Authors: Li Jie
Published: November 2007

The title compound, C13H15N2
+·C14H11O3
−, is a molecular salt in which the conformation of the anion is stabilized by an intramolecular O—H...O interaction. The species are linked by an N—H...O bond and further hydrogen bonds lead to infinite one-dimensional chains along [010].
[N,N′-Bis(3-aminopropyl)ethylenediamine]disaccharinatozinc(II) monohydrate
Authors: Paşaoğlu Hümeyra , Kaştaş Gökhan , Yeşilel Okan Z. , Şahin Onur , Büyükgüngör Orhan
Published: November 2007

In the title complex, [Zn(C7H4NO3S)2(C8H22N4)]·H2O or [Zn(sac)2(paen)]·H2O [sac = saccharinate and paen = N,N′-bis(3-aminopropyl)ethylenediamine], the zinc cation is octahedrally coordinated. The equatorial plane of the octahedron is formed by N atoms of the paen ligand, whereas the axial positions are occupied by the carbonyl O atoms of the two sac ligands. One of the sulfonyl groups of the sac ligands shows disorder and was modelled with two different orientations and site occupancies of 0:38 (1):0.62 (1). The molecular packing is stabilized by intermolecular O—H...O and N—H...O hydrogen bonds between water molecules and neighbouring [Zn(sac)2(paen)] molecules, which form chains running parallel to [010]. The crystal used was an inversion twin.
Tetrabutylammonium 5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2-thiolate
Authors: Singh N. K. , Pandey A. K. , Singh M. , Bharty M. K. , Butcher Ray J.
Published: November 2007

The title compound, C16H36N+·C8H5N2O2S−, crystallizes with two formula units in the asymmetric unit. In both anions, the oxadiazole ring is almost coplanar with the 2-hydroxyphenyl ring. The anion structure is influenced by intramolecular O—H...N hydrogen bonding. The crystal packing is stabilized by intermolecular C—H...S, C—H...O, C—H...N and C—H...π interactions. One butyl group is disordered over two positions, with site-occupancy factors of ca 0.6 and 0.4.
Quinoxaline–chloranilic acid (1/1)
Authors: Gotoh Kazuma , Nagoshi Hirokazu , Ishida Hiroyuki
Published: November 2007

In the crystal structure of the title compound, C8H6N2·C6H2Cl2O4, there are two crystallographically independent chloranilic acid (systematic name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) molecules, each of which is located on an inversion center. The quinoxaline ring system makes dihedral angles of 6.09 (9) and 44.50 (9)° with the two chloranilic acid planes. The quinoxaline and the chloranilic acid are connected alternately by O—H...N hydrogen bonds, forming a zigzag chain running along the [20\overline{1}] direction. The chains are stacked along the a axis, forming a layer extending parallel to the (010) plane. The layers are further linked by C—H...O hydrogen bonds.
N,N′-Dimethyl-N,N′-diphenylnaphthalene-1,4-dicarboxamide
Authors: Jing Lin-Hai , Qin Da-Bin
Published: November 2007

In the title compound, C26H22N2O2, the two amide groups are twisted away from the attached naphthalene ring system by 63.94 (3) and 66.07 (3)°. The crystal packing is stabilized by C—H...π interactions.
cis-(3-Hydroxycyclobutane-1,1-dicarboxylato-κ2
O,O′)bis(2-methylpyridine-κN)platinum(II)
Authors: Xie Ming-Jin , Yu Yao , Liu Wei-Ping , Hou Shu-Qian , Chen Xizhu
Published: November 2007

In the crystal structure of the title compound, [Pt(C6H6O4)(C6H7N)2], the platinum(II) ion is tetracoordinated in a square-planar coordination. The structure involves intramolecular C—H...O hydrogen bonds.
Methyl 6-methoxygambogate
Authors: Liu Wenyuan , Feng Feng , Wang Xiaobing , Guo Qinglong , You Qidong
Published: November 2007

The title compound, C40H48O8, is a derivative of gambogic acid, which is an effective telomerase inhibitor and displays potent anticancer activity both in vitro and in vivo. The three fused rings, A, B and C. are almost coplanar, with a mean deviation of 0.0670 (3) Å from their least-squares plane. The bridged structural unit including rings D, E and G forms a conformation like that of triethylenediamine. The structure is assembled via C—H...O hydrogen bonds. One methyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3.
Poly[(nitrato-κO)tris(μ3-1H-1,2,4-triazolato)dizinc(II)]: a three-dimensional coordination polymer
Authors: Ellsworth Joseph M. , Smith Mark D. , Loye Hans-Conrad zur
Published: November 2007

In the title compound, [Zn2(C2H2N3)3(NO3)], there are two unique Zn atoms, both with site symmetry m. One forms a ZnN3O tetrahedron and the other a ZnN6 octahedron. One and a half 1H-1,2,4-triazolate ligands, with the half-ligand located on a mirror plane, and a disordered nitrate anion complete the asymmetric unit of the structure. The polymeric connectivity is three-dimensional.
N-Benzylpropan-2-aminium (benzylisopropylamido)(2,2,2-trifluoroacetamido)phosphate
Authors: Yazdanbakhsh Mohammad , Sabbaghi Fahimeh
Published: November 2007

In the title compound, C10H16N+·C12H15F3N2O3P−, the two P—N distances are significantly different [1.740 (2) and 1.641 (2) Å]. In the crystal structure, cations and anions are connected via intermolecular N—H...O hydrogen bonds to form chains of centrosymmetric rings propagating in the b-axis direction.
4-Benzylidene-2-methyl-11-phenyl-1,2,3,4,11,11a-hexahydropyrido[3,4-c][1,5]benzothiazepine
Authors: Athimoolam S. , Kumar R. Ranjith , Kannan R. Sayee , Sridhar B. , Bahadur S. Asath
Published: November 2007

In the title compound, C26H24N2S, the six- and seven-membered heterocyclic rings adopt half-chair and near-boat conformations, respectively. The molecular conformation is influenced by two weak intramolecular C—H...N interactions. The crystal structure is stablized by intermolecular C—H...N and C—H...π interactions.
catena-Poly[[silver(I)-μ-1,2-bis[(1H-imidazol-1-yl)methyl]benzene-κ2
N
3:N
3′] 2-amino-3,5-dimethylbenzenesulfonate]
Authors: Liu Hai-Yan , Ma Ji-Cheng , Yang Jin
Published: November 2007

The title compound, {[Ag(C14H14N2)](C8H10NO3S)}
n
, adopts a polymeric chain structure, where each AgI cation binds two N atoms from two different 1,2-bis[(1H-imidazol-1-yl)methyl]benzene (IBI) ligands in a linear coordination geometry. Each IBI ligand bridges two neighbouring AgI atoms to form the polymer chain. The 2-amino-3,5-dimethylbenzenesulfonate counter-ion does not coordinate to the AgI centre but forms an intramolecular N—H...O hydrogen bond.
μ-Oxido-bis{chlorido[tris(2-pyridylmethyl)amine]iron(III)} bis(hexafluoridophosphate)
Authors: Liu Ying , Dou Jianmin , Li Dacheng , Zhang Xianxi
Published: November 2007

The dinuclear FeIII complex in the title compound, [Fe2Cl2O(C18H18N4)2](PF6)2, lies on a center of inversion. The FeIII atom is chelated by a tetradentate tris(2-pyridylmethyl)amine ligand via four N atoms and further coordinated by one chloride ion and one bridging oxide O atom, giving a distorted octahedral coordination geometry.
Aqua(4-formylbenzoato-κO)(nitrato-κO)(1,10-phenanthroline-κ2
N,N′)copper(II)
Authors: Deng Zhao-Peng , Gao Shan , Huo Li-Hua , Zhao Hui
Published: November 2007

In the title complex, [Cu(C8H5O3)(NO3)(C12H8N2)(H2O)], the CuII atom adopts a distorted square-pyramidal coordination geometry with an O atom of the nitrate group occupying the apex of the pyramid. The complex molecules are linked into ribbons along the a axis via hydrogen bonding between the water molecule and the nitro anion. π–π stacking interactions between the 4-formylbenzoate and phenanthroline ligands assemble two ribbons into a larger one-dimensional structure. The centroid-to-centroid distances between the overlapping six-membered rings are 3.634 (3) and 3.722 (3) Å.
catena-Poly[[[aquasilver(I)]-μ-2,3-dimethylpyrazine-κ2
N:N′] 4-amino-2,5-dichlorobenzenesulfonate]
Authors: Liu Hai-Yan , Ma Ji-Cheng , Yang Jin
Published: November 2007

In the title compound, {[Ag(C6H8N2)(H2O)](C6H4Cl2NO3S)}
n
, the AgI ion is three-coordinated by two N atoms from two symmetry-related 2,3-dimethylpyrazine (dmp) ligands, and one water O atom in a distorted trigonal–planar geometry. The dmp ligands bridge AgI ions to form a one-dimensional chain structure with charge-balancing 4-amino-2,5-dichlorobenzenesulfonate anions. In the crystal structure, intermolecular O—H...O and N—H...O hydrogen bonds form a two-dimensional network.
N′-[1-(2-Thienyl)ethylidene]pyridine-2-carbohydrazide
Authors: Yao Guodong , Sun Shizhu , Li Dacheng , Wang Daqi , Dou Jianmin
Published: November 2007

The title compound, C12H11N3OS, was synthesized by the reaction of 2-pyridinecarbonylhydrazide with 2-acetylthiophene in ethanol. In the molecule, the dihedral angle between the pyridine and thiophene rings is 24.4 (3)°. In the crystal structure, zigzag chains are formed along the b axis by weak intermolecular C—H...N interactions. These chains are, in turn, further assembled into a two-dimensional supramolecular structure through weak intermolecular C—H...O and N—H...O hydrogen bonds.
ent-Kaur-16-en-19-al
Authors: Chantrapromma Suchada , Salae Abdul Wahab , Fun Hoong-Kun , Ponglimanont Chanita
Published: November 2007

The title ent-kaurane diterpene compound, C20H30O, was isolated from the roots of Bruguiera cylindrica (Rhizophoraceae), a mangrove plant. The molecule contains a fused four-ring system, with the three cyclohexane rings in standard chair conformations and the cyclopentane ring adopting an envelope conformation. The aldehyde is bisectionally attached to the cyclohexane ring. The methylene group is coplanar with the attached cyclopentane ring. In the crystal structure, molecules are packed by van der Waals interactions.
Bis(cyanido-κC)bis(1,10-phenanthroline-κ2
N,N′)chromium(III) bis(azido-κN)[N,N′-(o-phenylene)bis(pyridine-2-carboxamide)-κ4
N]chromate(III) monohydrate
Authors: Guan Guizhi , Gao Yuxiang , Wang Lixia , Wang Tao
Published: November 2007

The title compound, [Cr(CN)2(C12H8N2)2][Cr(N3)2(C18H12N4O2)]·H2O, contains [CrIII(CN)2(phen)2]+ cations (phen is 1,10-phenanthroline) and [CrIII(N3)2(bpb)]− anions [bpb is 1,2-bis(pyridine-2-carboxamido)benzene or N,N′-(o-phenylene)bis(pyridine-2-carboxamide)]. In the cations, the CrIII atom is coordinated by two phen ligands and two cyanide ligands in a distorted octahedral geometry. In the anions, the CrIII atom is coordinated by the tetradentate bpb ligand and two azide ions, forming a distorted octahedral geometry. There is one solvent water molecule per cation–anion pair, which forms hydrogen bonds to one carbonyl group of the bpb ligand and to the terminal N atom of one cyanide ligand.
3-Fluoro-2,4,5-triphenylfuran
Authors: Jacobsen Jesse M. , Arimitsu Satoru , Hammond Gerald B. , Mashuta Mark S.
Published: November 2007

The title compound, C22H15FO, is the first example of a crystallographically characterized fully substituted fluorofuran. Although the F atom does not appear to participate in aryl–π attractions or classical hydrogen bonding, the title compound does contain four unique intermolecular π–π stacking interactions that have an atom-to-centroid range of 3.53 (4)–3.64 (4) Å. The phenyl ring located between the F and O atoms is only 9.55 (7)° from being coplanar with the furan ring, whereas the other aromatic planes form angles of 41.71 (1) and 20.45 (1)° with the ring.
N,N′-Bis[4-(dimethylamino)benzylidene]butane-1,4-diamine
Authors: Habibi Mohammad Hossein , Zendehdel Mahmoud , Chantrapromma Suchada , Fun Hoong-Kun
Published: November 2007

The molecule of the title compound, C22H30N4, lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine C=N bond. The molecular structure has a staggered conformation, with the two benzene rings parallel to each other. The dihedral angle between the benzylidene and butane groups is 77.77 (7)°. In the crystal structure, molecules are arranged into columns along the a axis by C—H...π interactions.
2-Benzyl-6-(benzylamino)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Authors: Zhang Ye , Han Gui-Ming , Wu Qiang , Wang Heng-Shan
Published: November 2007

The title compound, C26H20N2O2, is a 1,8-naphthalimide derivative. Molecules are arranged into stacks via π–π interactions between the naphthalimide systems, with interplanar distances of 3.379 (2) and 3.630 (2) Å. In addition, the crystal structure is stabilized by weak intermolecular C—H...O interactions.
Di-μ-oxido-bis({2,2′-[propane-1,3-diylbis(nitrilomethylidyne)]diphenolato}vanadium(IV)) dimethylformamide disolvate
Authors: Liu Ying , Dou Jianmin , Niu Meiju , Zhang Xianxi
Published: November 2007

In the title compound, [V2(C17H17N2O2)2O2]·2C3H7NO, each V atom is chelated by a Schiff base ligand via two N and two O atoms. The two octahedrally coordinated V atoms are linked by two bridging oxide ligands to give a centrosymmetric dimer.
[2,2′-(2,6,9,13-Tetraazatetradeca-1,13-diene-1,14-diyl)diphenolato]iron(III) chloride
Authors: Butcher Ray J. , Pourian Mohamad , Jasinski Jerry P.
Published: November 2007

The structure of the title compound, [Fe(C22H28N4O2)]Cl {also known as [N,N′-bis[3-(salicylideneamino)propyl]ethane-1,2-diamine]iron(III) chloride}, has crystallographic symmetry with both the Fe and Cl atoms lying on twofold axes. The structure adopts a conformation where the phenolate O atoms are trans. The geometry about the Fe center is distorted octahedral due to the restrictions imposed by the bite angles of the chelate rings. The structure displays N—H...Cl hydrogen bonding.
2,2,8-Trimethyl-2,3-dihydropyrano[2,3-a]carbazol-4(11H)-one
Authors: Sridharan Makuteswaran , Prasad Karnam J. Rajendra , Zeller Matthias
Published: November 2007

The molecule of the title compound, C18H17NO2, is essentially planar: the r.m.s. deviation for all non-H atoms excluding the C(CH3) group of the 2,2-dimethyl-2H-pyran-4(3H)-one unit is 0.045 Å. Intermolecular N—H...O hydrogen bonds are formed to the keto O atom, and C—H...π contacts are observed between methyl H atoms and the π system of the pyrrole ring. While the flat molecules are in part parallel to each other, no strong π–π stacking interactions are found. The molecules lie in layers parallel to the (001) planes, with the c axis spanning two such layers.
(3SR,2′SR)-3-(2′-Anilino-2′-phenylethyl)phthalide
Authors: Laghrib Naoual , Azrour Mohamed , Daran Jean-Claude , Fihi Rachid , Majidi Lhou
Published: November 2007

Evolution of the major spiroadduct obtained by cycloaddition of C,N-diphenylnitrone with 3-methylenephthalide in Zn/3 M HCl media gives a rearrangement product. The reaction did not stop at the formation of an aminoalcohol but was followed by dehydration; the title compound, C22H19NO2, was obtained after hydrogenation. It exists in the diastereoisomer SS/RR form. The packing is stabilized by weak N—H...O and C—H...O hydrogen-bond interactions.
12-Methoxy-15-(pyridin-3-ylmethylamino)podocarpa-8,11,13-trien-15-one
Authors: Mouamba Claudia , Butcher Raymond J. , Bakare Oladapo
Published: November 2007

The benzylic C—N bond of the title compound [systematic name: N-(3-pyridylmethyl)-6-methoxy-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxamide], C24H30N2O2, is almost coplanar with the amide carbonyl linkage; the C—N—C=O angle is 6.8 (4)°. N—H...N hydrogen bonds link the molecules into chains in the a direction. In addition, these chains are linked by weak intermolecular Ar—H...O interactions, viz. an aromatic C—H and carbonyl O atom of adjacent molecules.
5,11,17,23-Tetramethyl-2,8,14,20-tetrakis(2-phenylethyl)-4,6,10,12,16,18,22,24-octahydroxycalix[4]arene methanol pentasolvate 0.10-hydrate
Authors: Friedrich Holger B. , Howie R. Alan , Maguire Glenn E. M. , Mc Kay Michael G.
Published: November 2007

The title compound [systematic name: 5,11,17,23-tetramethyl-2,8,14,16-tetrakis(2-phenylethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13 (27),15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol methanol pentasolvate 0.10-hydrate], C64H64O8·5CH4O·0.103H2O, was synthesized as a new synthetic intermediate for resorcin[4]arene cavitand formation. The structure displays extensive O—H...O intra- and intermolecular hydrogen bonding.
1,1′-Methylenebis(naphthalen-2-amine) methanol solvate
Authors: Mahon Andrew B. , Craig Donald C. , Try Andrew C.
Published: November 2007

In the title compound, C21H18N2·CH4O, the two naphthyl ring systems are arranged almost orthogonal to one another, with a dihedral angle of 89.8 (1)°.
2-(2-Chlorophenyl)-7-methyl-4H-chromen-4-one
Authors: Wang Xiao-Bing , Kong Ling-Yi
Published: November 2007

The title compound, C16H11ClO2, is a synthetic flavonoid. The fused-ring system is almost planar, with a mean deviation from the least-squares plane of 0.0204 (2) Å. The dihedral angle between the chromene group and the chlorophenyl ring is 50.9 (6)°, due to unfavourable steric interactions with the Cl atom. Aromatic π–π stacking interactions between the fused benzene (π-rich) and pyran (π-deficient) rings are observed, with a centroid–centroid distance of 3.578 Å.
4,4′,6,6′-Tetramethyl-2,2′-(propyldithio)dipyrimidine
Authors: Wu Guang-Hui , Liu Tian-Bao , Peng Yan-Fen , Wu Guo-Zhi
Published: November 2007

The crystal structure of the title compound, C15H20N4S2, is mainly stabilized by van der Waals forces. The molecule resides on a twofold axis.
1,1,4,4-Tetramethylpiperazinium tetraiodidocadmate(II)
Authors: Guo Hong-Xu , Wu Shu-Zhen , Cai Mei-Shuang , Yao Shan-Shan
Published: November 2007

The title compound, (C8H20N2)[CdI4], contains isolated 1,1,4,4-tetramethylpiperazinium cations and tetrahedral tetraiodidocadmate(II) anions, both of which lie on crystallographic twofold rotation axes. The cations and anions lie in layers parallel to the (101) planes.
S-Benzyl 3-(2-bromobenzylidene)dithiocarbazate
Authors: Qiu Xiao-Yang , Luo Zhi-Gang
Published: November 2007

The title compound, C15H13BrN2S2, crystallizes with two independent molecules in the asymmetric unit. Both molecules display a `C-shaped' conformation, with a trans configuration with respect to the C=N double bond. Intermolecular N—H...S interactions are observed.
(S)-3-[(R)-2,4-Dimethylpent-4-enoyl]-4-isopropyl-5,5-diphenyl-1,3-oxazolidin-2-one
Authors: Tannert René , Schürmann Markus , Preut Hans , Arndt Hans-Dieter , Waldmann Herbert
Published: November 2007

The title compound, C25H29NO3, was prepared in the course of the generation of depsipeptide libraries resembling the Jasplakinolide family of natural products. The dihedral angle between the phenyl ring planes is 74.1 (3)° The oxazolidinone ring adopts a slightly distorted 4
E conformation with an axial projection of the isopropyl substituent, which is easily rationalized by pseudo-allylic strain exerted by the exocyclic imide carbonyl. The two carbonyl groups adopt a noncolinear S-shaped conformation.
(2,2′-Bipyridyl-κ2
N,N′)(succinamidato-κN)silver(I)
Authors: Whitcomb David R. , Rajeswaran Manju
Published: November 2007

In the molecular title complex, [Ag(C4H4NO2)(C10H8N2)], the Ag atom adopts a distorted T-shaped AgN3 coordination. Aromatic π–π stacking interactions [centroid–centroid separation = 3.8393 (17) Å] lead to centrosymmetric dimers of molecules in the crystal structure.
Isopropylammonium (isopropylamino)oxoacetate monohydrate
Authors: Sheng Xia , Strasser Christoph E. , Raubenheimer H. G. , Luckay Robert C.
Published: November 2007

The title compound, C3H10N+·C5H8NO3
−·H2O, crystallizes as a salt from water. Intermolecular N—H...O and O—H...O hydrogen bonds lead to two-dimensional layers. The layers are stacked in the c-axis direction with hydrophobic interactions between the methyl groups.
Racemic dihydromyricetin dihydrate
Authors: Xu Zhongwei , Liu Benguo , Ning Zhengxiang , Zhang Yan
Published: November 2007

The title compound, C15H12O8·2H2O, crystallizes with two organic molecules and four water molecules in the asymmetric unit. Crystal symmetry generates a racemic mixture of the chiral organic molecules. An extensive network of intramolecular and intermolecular O—H...O hydrogen bonds helps to establish the structure.
N-Benzyl-2-propanaminium O-methyl trichloroacetamidophosphate
Authors: Pourayoubi Mehrdad , Sabbaghi Fahimeh
Published: November 2007

The title compound, C13H20Cl3N2O4P, was prepared by the reaction of N-isopropylbenzylamine and CCl3C(O)N(H)P(O)Cl2, followed by crystallization from CH3OH and CH3CN. Centrosymmetric dimers of anions are hydrogen-bonded to neighbouring cations (via –P—O...H—N– and –C=O...H—N– hydrogen bonds) in a one-dimensional polymeric chain. Furthermore, a Cl...Cl interaction (3.242 Å) and a C—H...π short contact are present in the crystal structure, the former between two adjacent anions and the latter between two neighbouring cations.
N-(4-Nitrophenyl)-N′-phenylsuccinamide
Authors: Butcher Ray J. , Jasinski Jerry P. , Ravindra H. J. , Dharmaprakash S. M.
Published: November 2007

In the title compound, C16H15N3O4, the dihedral angle between the two benzene ring is 16.66 (6)°. The molecule crystallizes in a centrosymmetric space group and hence does not exhibit nonlinear optical second harmonic generation properties. The angle between the mean plane of the 4-nitrophenyl group and the adjacent NCO group is 26.2 (8)°, while the angle between the mean plane of the phenyl ring and its adjacent NCO group is 40.8 (5)°. The dihedral angle between the two NCO groups is 5.2 (3)°. The crystal packing is stabilized by intramolecular C—H...O and intermolecular N—H...O interactions, which link the molecules into chains along the b axis in the bc plane, with the phenyl rings arranged oblique to this plane.
2-(Pyrrolidin-1-ylmethyl)isoindoline-1,3-dione
Authors: Sakthivel P. , Joseph P. S. , Sebastiyan A. , Suvaikin M. Yosuva , Ramesh M.
Published: November 2007

In the title compound, C13H14N2O2, the pyrrolidine ring adopts an envelope conformation. The crystal structure is stabilized by C—H...O and C—H...N hydrogen bonds.
(E,E)-N,N′-Bis(3,4,5-trimethoxybenzylidene)ethylenediamine
Authors: Khalaji Aliakbar Dehno , Brad Korbanjhon , Zhang Yan
Published: November 2007

The title compound, C22H28N2O6, prepared by a condensation reaction between 3,4,5-trimethoxybenzaldehyde and ethylenediamine, acts as an important precursor for the synthesis of Schiff base complexes. The molecule is located on a centre of inversion with one half-molecule in the asymmetric unit. Both C=N double bonds are in a trans configuration.
Poly[tris(μ-di-4-pyridylamine-κ2
N:N′)tetrathiocyanato-κ4
N-dicobalt(II)]
Authors: Knapp Warren R. , Martin David P. , LaDuca Robert L.
Published: November 2007

In the title compound, [Co2(NCS)4(C10H9N3)3]
n
, 4,4′-dipyridylamine (dpa) ligands link octahedrally and tetrahedrally coordinated CoII atoms with pendant isothiocyanate ligands into [Co2(NCS)4(dpa)3]
n
chains that propagate along the c axis. These form sinusoidal pseudo-layers coincident with the ac plane via N—H...S hydrogen bonding.
NH4PbI3
Authors: Fan Le-Qing , Wu Ji-Huai
Published: November 2007

Single crystals of ammonium lead iodide, NH4PbI3, have been obtained by solid-state reactions. Each PbII ion is coordinated by six I− ions in a distorted octahedral environment. PbI6 octahedra are connected by common edges, forming a one-dimensional anion chain. All atoms except one H atom in a general position have site symmetry m.
3-(Dicyanomethylidene)-6,6-dimethylcyclohexa-1,4-diene
Authors: Kämpen Jan , Jones Peter G. , Bubenitschek Peter , Hopf Henning
Published: November 2007

In the title compound, C11H10N2, the six-membered ring is planar (r.m.s.d. 0.013 Å). Molecules are linked by weak C—H...N interactions into chains parallel to [201], which lie in planes parallel to (\overline{1}02).
catena-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato-κ2
O,O′]zinc(II)]-μ-4,4′-bipyridine-κ2
N:N′] dihydrate]
Authors: Kong Li-Li , Gao Shan , Huo Li-Hua
Published: November 2007

In the title compound, {[Zn(C10H9O5)2(C10H8N2)(H2O)]·2H2O}
n
, the Zn atom, which lies on a twofold rotation axis, has a distorted pentagonal–bipyramidal geometry, involving four O atoms from two 3-(4-carboxyphenoxy)propionate groups, two N atoms from two 4,4′-bipyridine ligands and one water molecule, also lying on the symmetry axis. 4,4′-Bipyridine ligands link adjacent Zn atoms, forming a one-dimensional chain structure. Furthermore, a three-dimensional supramolecular network is buildt up via hydrogen bonding and π–π stacking interactions [centroid–centroid distance 3.9096 (9) Å].
Ethyl (1-methyl-3-phenyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-4-yl)acetate
Authors: Kruszynski Rafal , Trzesowska Agata , Przybycin Magdalena , Dopieralski Mariusz , Dobosz Maria
Published: November 2007

All interatomic distances in the title compound, C13H15N3O2S, are normal. The 1,2,4-triazole ring is planar and is inclined at 46.50 (6)° to the phenyl ring. The ethoxycarbonylmethyl group is also close to being planar and is inclined at 87.54 (9)° to the 1,2,4-triazole ring. The crystal was an inversion twin with a twin ratio 0.88 (3):0.12 (3).
Poly[propane-1,3-diammonium [diaqua(μ4-4-benzene-1,2,4,5-tetracarboxylato)cobaltate(II)] hemihydrate]
Authors: Aghabozorg Hossein , Attar Gharamaleki Jafar , Motyeian Elham , Ghadermazi Mohammad
Published: November 2007

The title polymeric compound, {(C3H12N2)[Co(C10H2O8)(H2O)2]·0.5H2O}
n
, was obtained by the reaction of cobalt(II) nitrate hexahydrate with the proton-transfer compound (pnH2)2(btc)·2H2O (pn = propane-1,3-diamine and btcH4 = benzene-1,2,4,5-tetracarboxylic acid) in aqueous solution. Each Co2+ ion is situated on a crystallographic twofold rotation axis and is coordinated in a distorted octahedral geometry by six O atoms [Co—O = 2.0650 (9)–2.1107 (8) Å] from two coordinated water molecules and four (btc)4− ligands which also act as bridging ligands between Co2+ ions. In the crystal structure, a wide range of non-covalent interactions consisting of O—H...O, N—H...O and C—H...O hydrogen bonds, as well as ion pairing, van der Waals forces and C—H...π stacking between the propane-1,3-diammonium ions and the aromatic rings of benzene-1,2,4,5-tetracarboxylate ligands, connect the various fragments, forming a three-dimensional supramolecular structure. The crystal studied was an inversion twin.
r-2,c-6-Bis(4-bromophenyl)-t-3,t-5-dimethyltetrahydropyran-4-one
Authors: Parthiban P. , Umamatheswari S. , Doddi Adinarayana , Ramkumar V. , Kabilan S.
Published: November 2007

In the title compound, C19H18Br2O2, the tetrahydropyran ring has a chair conformation with an equatorial disposition of all the methyl and p-bromophenyl groups. The structure is stabilized by intermolecular C—H...O, C—H...π and Br...Br interactions [Br...Br = 3.4756 (9) Å], forming a zigzag layer arrangement.