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Diaqua-dimethano-lbis[4-(1H-tetra-zol-1-yl)benzoato]zinc(II) dihydrate.

ABSTRACT: In the title compound, [Zn(C(8)H(5)N(4)O(2))(2)(CH(3)OH)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) ion lies on an inversion centre and is coordinated by two O atoms from two 4-(tetra-zol-1-yl)benzoate ligands, two O atoms from two methanol mol-ecules and two O atoms from two water mol-ecules in a slightly distorted octa-hedral geometry. In addition, there are two uncoordinated water mol-ecules in the crystal structure. The crystal structure is stabilized by inter-molecular O-H?O hydrogen bonds.

SUBMITTER: Zhang SM

PROVIDER: S-EPMC2961137 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Poly[diaqua-1κO-bis[μ(3)-2-(1H-tetra-zol-5-yl)benzoato(2-)]dicadmium(II)].

Project description:The title compound, [Cd(2)(C(8)H(4)N(4)O(2))(2)(H(2)O)(2)](n), is a coordination polymer prepared by the hydro-thermal reaction of cadmium(II) chloride and 2-(1H-tetra-zol-5-yl)benzoic acid. Two types of coordinated cadmium cations exist in the structure. One is located on a twofold axis and is coordinated by four O and two N atoms from four symmetry-related ligands, forming a trigonal-prismatic coordination polyhedron. The other is located on an inversion center and is octa-hedrally coordinated by two N and two O atoms from two ligands in equatorial sites, and two water mol-ecules in axial sites. The organic ligand bridges three Cd atoms, through a carboxyl-ate group and two N atoms of the tetra-zolate unit. This mode of coordination results in a two-dimensional framework. The crystal structure is stabilized by inter-molecular O-H⋯O and O-H⋯N hydrogen bonds.

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1,2-Bis(1H-tetra-zol-5-yl)benzene dihydrate.

Project description:The asymmetric unit of the title compound, C(8)H(6)N(8)·2H(2)O, contains one half-mol-ecule, with the benzene ring on a centre of symmetry, and two uncoordinated water mol-ecules. The benzene ring is oriented at a dihedral angle of 34.43?(12)° with respect to the tetra-zole ring. Strong O-H?N hydrogen bonds link the water mol-ecules to the N atoms of the tetra-zole ring. In the crystal structure, strong inter-molecular O-H?O and O-H?N hydrogen bonds link the mol-ecules into a network. One of the water H atoms is disordered over two positions and was refined with occupancies of 0.50.

| S-EPMC2969647 | biostudies-literature

Diaqua-bis-[5-(2-pyridyl-meth-yl)tetra-zol-ato-?N,N]zinc(II).

Project description:In the title mononuclear complex, [Zn(C(7)H(6)N(5))(2)(H(2)O)(2)], the Zn(II) atom, located on an inversion centre, is in a distorted octa-hedral coordination geometry formed by four N atoms from two chelating 5-(2-pyridyl-meth-yl)tetra-zolate ligands and two O donors from two water mol-ecules. Inter-molecular O-H?N hydrogen bonds between the coordinated water mol-ecule and the tetra-zolyl group of the 5-(2-pyridyl-meth-yl)tetra-zolate ligand lead to the formation of a three-dimensional network.

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trans-Diaqua-bis[5-(1H-imidazol-4-yl-κN)-1H-tetra-zolato-κN]zinc(II).

Project description:In the title complex, [Zn(C(4)H(3)N(6))(2)(H(2)O)(2)], the metal centre lies on an inversion centre and displays a distorted octa-hedral ZnN(4)O(2) coordination geometry. The organic ligand is not planar; the dihedral angle between the imidazole and tetra-zole rings is 8.39 (9)°. An extended network of inter-molecular N-H⋯N and O-H⋯N hydrogen bonds stabilizes the crystal structure.

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| S-EPMC2969273 | biostudies-literature

Tetra-aqua-{1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole}sulfato-zinc(II) dihydrate.

Project description:In the title complex, [Zn(SO(4))(C(9)H(8)N(6))(H(2)O)(4)]·2H(2)O, the Zn(II) ion is six-coordinated by one N atom from a 1-[(1H-1,2,3-benzotriazol-1-yl)meth-yl]-1H-1,2,4-triazole ligand and five O atoms from one monodentate sulfate anion and four water mol-ecules in a distorted octa-hedral geometry. The sulfate tetra-hedron is rotationally disordered over two positions in a 0.618 (19):0.382 (19) ratio. In the crystal, adjacent mol-ecules are linked through O-H⋯O and O-H⋯N hydrogen bonds involving the cation, the anion, and the coordinated and uncoordinated water mol-ecules into a three-dimensional network.

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Ethane-1,2-diaminium bis-{5-[4-(1H-tetra-zol-5-yl)phen-yl]tetra-zolide} dihydrate.

Project description:In the two anions of the title salt, C(2)H(10)N(2) (2+)·2C(8)H(5)N(8) (-)·2H(2)O, the central aromatic rings make dihedral angles of 13.53 (6) and 6.53 (7)° with the deprotonated tetra-zole rings, and 11.39 (6) and 10.41 (9)° with the other tetra-zole groups. In the crystal, the cations, anions and water mol-ecules are linked by an extensive O-H⋯N, N-H⋯O and N-H⋯N hydrogen-bond network into two-dimensional wave-like duplex sheets extending parallel to the bc plane. π-π stacking inter-actions between benzene rings [inter-centroid distances are 3.8482 (4) and 3.9621 (5) Å] and between tetra-zole rings [inter-centroid distances are 3.4350 (4) and 3.7169 (4) Å] further consolidate the crystal structure.

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Bis[2-(1H-benzimidazol-2-yl)benzoato]copper(II) dihydrate.

Project description:In the title compound, [Cu(C(14)H(9)N(2)O(2))(2)]·2H(2)O, the Cu(II) ion lies on a centre of symmetry and is four-coordinated by two N atoms and two O atoms from two 2-(1H-benzimidazol-2-yl)benzoate ligands in a square-planar environment. The benzimidazol and benzyl rings form a dihedral angle of 42.8 (5)°. The mol-ecule contains two H-bonded carboxyl O acceptors and two H-bonded N-H donors in the benzimidazol groups, which inter-act with two symmetry-related uncoordinated water mol-ecules so that neighboring mol-ecular units are linked by (O-H)(water)⋯O(carbox-yl) hydrogen bonds with an R(2) (4)(8) graph-set motif, generating a helical chain in the a-axis direction. These chains are, in turn, inter-connected by (N-H)(benzimidazol)⋯O(water) hydrogen bonds, forming a three-dimensional supra-molecular network.

| S-EPMC2983125 | biostudies-literature

Diaqua-bis-{2-hy-droxy-5-[(pyridin-2-yl)methyl-idene-amino]-benzoato-?N,N'}zinc(II) dihydrate.

Project description:The complex mol-ecule of the title compound, [Zn(C(13)H(9)N(2)O(3))(2)(H(2)O)(2)]·2H(2)O, has 2 symmetry with the Zn(II) cation located on a twofold rotation axis. The Zn cation is N,N'-chelated by two 5-[(pyridin-2-yl)methyl-idene-amino]-2-hy-droxy-benzoate anions and coordinated by two water mol-ecules in a distorted octa-hedral geometry. Within the anionic ligand, the pyridine ring is oriented at a dihedral angle of 49.54?(10)° with respect to the benzene ring. The carboxyl-ate group of the anionic ligand is not involved in coordination but is O-H?O hydrogen bonded to the coordinated and uncoordinated water mol-ecules. Weak inter-molecular C-H?O hydrogen bonding is also present in the crystal structure.

| S-EPMC3011778 | biostudies-literature

Diaqua-bis-[4-(dimethyl-amino)-benzoato-?O]bis-(nicotinamide-?N)zinc(II) dihydrate.

Project description:In the centrosymmetric title structure, [Zn(C(9)H(10)NO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)]·2H(2)O, the Zn(II) cation, located on an inversion center, is coordinated by two 4-(methyl-amino)-benzoate anions, two nicotinamide ligands and two water mol-ecules in a slightly distorted octa-hedral geometry. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.09?(9)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.10?(4)°. The uncoordinated water mol-ecule is linked to nicotinamide ligands by O-H?O hydrogen bonds. In the crystal, inter-molecular N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak N-H?? inter-action also occurs.

| S-EPMC3011468 | biostudies-literature

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