Guangdong Province Key Laboratory of Pharmacodynamic Constituents of, Traditional Chinese Medicine and New Drugs Research, Institute of Traditional Chinese Medicine and Natural Products, Jinan University, Guangzhou 510632, People's Republic of China.
Published: March 2012
AI Article Synopsis
Article Abstract
The asymmetric unit of the title compound, C(7)H(6)O(5)·0.25H(2)O, contains two mol-ecules of 2,3,4-trihy-droxy-benzoic acid, with similar conformations, and one water mol-ecule which lies on a twofold rotation axis. Both acid mol-ecules are essentially planar [maximum r.m.s deviations = 0.0324 (2) and 0.0542 (3) Å for the two acid molecules]. The mol-ecular conformations are stabilized by intra-molecular O(phenol)-H⋯O(carbox-yl/phenol) inter-actions. A cyclic inter-molecular association is formed between the two acid and one water mol-ecule [graph set R(3) (3)(12)] involving O-H⋯O hydrogen bonds. The two acid mol-ecules are further linked through a cyclic R(2) (2)(8) carb-oxy-lic acid hydrogen-bonding association, which together with inter-molecular O-H⋯O hydrogen-bonding inter-actions involving the phenol groups and the water mol-ecule, and weak π-π inter-actions [minimum ring centroid separation = 3.731 (3) Å], give a three-dimensional network.
The crystal structure of the title compound, hexa-aqua-nickel(II) dichloride-1,4,7,10,13,16-hexa-oxa-cyclo-octa-deca-ne-water (1/2/2), [Ni(HO)]Cl·2CHO·2HO, is reported. The asymmetric unit contains half of the Ni(OH) moiety with a formula of CHClNiO at 105 K and triclinic (1) symmetry. The [Ni(OH)] cation has close to ideal octa-hedral geometry with O-Ni-O bond angles that are within 3° of idealized values.
The title compound, a hydrate of 3,5-di-amino-1,2,4-triazole (DATA), CHN·HO, was synthesized in the presence of sodium perchlorate. The evaporation of HO from its aqueous solution resulted in anhydrous DATA, suggesting that sodium perchlorate was required to precipitate the DATA hydrate. The DATA hydrate crystallizes in the 2/ space group in the form of needle-shaped crystals with one DATA and one water mol-ecule in the asymmetric unit.
The asymmetric unit of the title compound, [Co(CBrO)(CHN)(HO)] or [Co(Brbdc)(im)(HO)] , comprises half of Co ion, tetra-bromo-benzene-dicarboxylate (Brbdc), imidazole (im) and a water mol-ecule. The Co ion exhibits a six-coordinated octa-hedral geometry with two oxygen atoms of the Brbdc ligand, two oxygen atoms of the water mol-ecules, and two nitro-gen atoms of the im ligands. The carboxyl-ate group is nearly perpendicular to the benzene ring and shows monodentate coordination to the Co ion.
Crystallization of 5-nona-noyl-8-hy-droxy-quinoline in the presence of InCl in aceto-nitrile yields a dinuclear In complex crystallizing in the space group . In this complex, [In(CHNO)Cl(HO)], each indium ion is sixfold coordinated by two chloride ions, one water mol-ecule and two 8-quinolino-late ions. The crystal of the title complex is composed of two-dimensional supra-molecular aggregates, resulting from the linkage of the O-H⋯O=C and O-H⋯Cl hydrogen bonds as well as bifurcated C-H⋯Cl contacts.
The title hydrated mol-ecular salt, CHN ·Cl·2.5HO, has two tri-phenyl-tetra-zolium cations, two chloride anions and five water mol-ecules in the asymmetric unit. The cations differ in the conformations of the phenyl rings with respect to the heterocyclic core, most notably for the C-bonded phenyl ring, for which the N-C-C-C torsion angles differ by 36.
