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Bis{1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imidazole-?N}-bis-(3,5-dicarb-oxy-benzoato-?O)zinc octa-hydrate.

ABSTRACT: In the title complex, [Zn(C(9)H(5)O(6))(2)(C(11)H(10)N(4))(2)]·8H(2)O, the Zn(II) ion exhibits site symmetry 2. It shows a distorted tetra-hedral coordination defined by two N atoms from two symmetry-related 1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imid-azole ligands and by two O atoms from two symmetry-related monodeprotonated 3,5-dicarb-oxy-benzoate anions. In the crystal, complex mol-ecules and solvent water mol-ecules are linked through inter-molecular O-H?O, O-H?N, and N-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Zhao L

PROVIDER: S-EPMC3274892 | biostudies-other | 2012 Feb

REPOSITORIES: biostudies-other

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Bis{1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imidazole-κN}-bis-(3,5-dicarb-oxy-benzoato-κO)zinc octa-hydrate.

Zhao Lei L Liu Bingtao B Li Ting T Meng Xiangru X

Acta crystallographica. Section E, Structure reports online 20120118 Pt 2

In the title complex, [Zn(C(9)H(5)O(6))(2)(C(11)H(10)N(4))(2)]·8H(2)O, the Zn(II) ion exhibits site symmetry 2. It shows a distorted tetra-hedral coordination defined by two N atoms from two symmetry-related 1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imid-azole ligands and by two O atoms from two symmetry-related monodeprotonated 3,5-dicarb-oxy-benzoate anions. In the crystal, complex mol-ecules and solvent water mol-ecules are linked through inter-molecular O-H⋯O, O-H⋯N, and N-H⋯O hydrogen bonds into ...[more]

PMID: 22346839

Similar Datasets

Bis{1-[(1H-benzimidazol-1-yl)meth-yl]-1H-imidazole-κN (3)}bis-(3,5-dicarb-oxy-benzoato-κ(2) O (1),O (1'))nickel(II) octa-hydrate.

Project description:In the title complex, [Ni(C9H5O6)2(C11H10N4)2]·8H2O, the Ni(II) ion exhibits site symmetry 2. It has a distorted octa-hedral coordination defined by two N atoms from two symmetry-related 1-[(1H-benzimidazol-1-yl)meth-yl]-1H-imidazole ligands and four O atoms from two symmetry-related 3,5-dicarb-oxy-benzoate anions. In the crystal, the complex mol-ecules and solvent water mol-ecules are linked via O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds, forming a three-dimensional structure. There are also a number of C-H⋯O inter-actions present.

| S-EPMC3629470 | biostudies-literature

Diaqua-bis-{1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imidazole-κN(3)}dichlorido-cadmium hexa-hydrate.

Project description:In the title complex, [CdCl(2)(C(11)H(10)N(4))(2)(H(2)O)(2)]·6H(2)O, the Cd(II) atom is located on a twofold rotation axis and is coordinated by two N atoms from two 1-[(1H-benzimidazol-2-yl)meth-yl]-1H-imidazole ligands and two water O atoms in equatorial positions and by two Cl atoms in axial positions, leading to an elongated octa-hedral environment. The two coordinating and two of the lattice water mol-ecules are also located on twofold rotation axes. In the crystal, complex mol-ecules and solvent water mol-ecules are linked through a complex inter-molecular N-H⋯O, O-H⋯N, O-H⋯O and O-H⋯Cl hydrogen-bonding scheme into a three-dimensional network.

| S-EPMC3379093 | biostudies-literature

Bis[?-3-(1H-benzimidazol-2-yl)benzoato]dicopper(I).

Project description:The dimeric title complex, [Cu(2)(C(14)H(9)N(2)O(2))(2)], resides on a center of symmetry. In the crystal, the mol-ecules are packed via ?-? stacking inter-actions alternating between imidazole and benzene rings [mean inter-planar distances = 3.754?(3) and 3.624?(3)?Å]. An inter-molecular N-H?O hydrogen bond links the dimers together. The two-coordinate Cu(I) atom displays an O-Cu-N bond angle of 176.3?(2)°. The Cu?Cu distance within the dimer is 5.100?(2)?Å.

| S-EPMC3011389 | biostudies-literature

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

Poly[[{?(2)-3-[(1H-benzimidazol-1-yl)meth-yl]benzoato}cadmium(II)] 0.1-hydrate].

Project description:In the title polymeric compound, {[Cd(C(15)H(11)N(2)O(2))(2)]·0.1H(2)O}(n), the Cd(II) atom is coordinated by four carboxyl-ate O atoms and two benzimidazole N atoms from four benzimidazolylmethyl-benzoate anions in a distorted octa-hedral geometry. Each anion bridges two Cd atoms through the terminal carboxyl-ate group and an imidazole N atom, forming polymeric complex chains running along the b axis. The uncoordinated water mol-ecule is equally disordered over two sites; occupancies were fixed as 0.5 for each disordered component. Weak inter-molecular C-H?O hydrogen bonding is present in the crystal structure.

| S-EPMC2979141 | biostudies-literature

2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1H-benzimidazol-3-ium 3,5-dicarb-oxy-benzoate-benzene-1,3,5-tricarb-oxy-lic acid-water (1/1/1).

Project description:The title compound, C(17)H(17)N(4) (+)·C(9)H(5)O(6) (-)·C(9)H(6)O(6)·H(2)O, contains a protonated 2,2'-(1,3-propanedi-yl)bis-(1H-benzimidazole) cation, a deprotonated benzene-1,3,5-tricarb-oxy-lic acid anion, a neutral benzene-1,3,5-tricarb-oxy-lic acid mol-ecule and a water mol-ecule, which are linked together through N-H?O, O-H?O and weak C-H?O hydrogen bonds into almost double sheets parallel to (4). These hydrogen-bonded sheets are packed in the crystal with the formation of centrosymmetric voids of 25.5?Å(3), which are filled by the water mol-ecules.

| S-EPMC3009361 | biostudies-literature

Octa-aqua-bis(μ(2)-1H-pyrazole-3,5-di-carboxyl-ato)tricopper(II) tetra-hydrate.

Project description:In the trinucler Cu(II) complex mol-ecule of the title compound, [Cu(3)(C(5)HN(2)O(4))(2)(H(2)O)(8)]·4H(2)O, the central Cu(II) atom is located on an inversion centre and is coordinated in a distorted octa-hedral geometry. The equatorial sites are occupied by two N and two O atoms from two pyrazole-3,5-dicarboxyl-ate ligands and the axial positions are occupied by two water mol-ecules. The two other symmetry-related Cu(II) atoms are penta-coordinated and assume a square-pyramidal geometry. In the crystal structure, coordinated and uncoordinated water mol-ecules and carboxyl-ate O atoms are linked by O-H⋯O hydrogen bonds.

| S-EPMC2979837 | biostudies-literature

Triaqua-bis(1H-imidazole)bis-[μ(2)-2-(oxalo-amino)benzoato(3-)]dicopper(II)calcium(II) hepta-hydrate.

Project description:In the title heterotrinuclear coordination compound, [CaCu(2)(C(9)H(4)NO(5))(2)(C(3)H(4)N(2))(2)(H(2)O)(3)]·7H(2)O, the Ca(2+) cation is in a penta-gonal-bipyramidal geometry and bridges two (1H-imidazole)[2-(oxaloamino)benzoato(3-)]copper(II) units in its equatorial plane. Each Cu(II) atom has a normal square-planar geometry. The mol-ecule has approximate local (non-crystallographic) mirror symmetry and 23 classical hydrogen bonds are found in the crystal structure.

| S-EPMC2960417 | biostudies-literature

5-[(1H-Benzimidazol-1-yl)meth-yl]benzene-1,3-dicarb-oxy-lic acid.

Project description:Crystals of the title compound, C(16)H(12)N(2)O(4), were obtained accidentally from a hydro-thermal reaction of 5-[(1H-benzimidazol-1-yl)meth-yl]isophthalic acid with manganese bromide in the presence of N,N'-dimethyl-formamide. In the title mol-ecule, the benzimidazole ring system is almost planar, with a maximum deviation from the mean plane of 0.010 (2) Å. The benzimidazole and central benzene rings are inclined at a dihedral angle of 71.7 (6)°. The crystal structure is stabilized by O-H⋯N and O-H⋯O hydrogen bonds.

| S-EPMC3238952 | biostudies-literature

Bis[1,3-bis-(1-methyl-1H-benzimidazol-2-yl)-2-oxapropane]-cadmium dipicrate acetonitrile sesquisolvate 0.25-hydrate.

Project description:In the title compound, [Cd(C(18)H(18)N(4)O)(2)](C(6)H(2)N(3)O(7))(2)·1.5CH(3)CN·0.25H(2)O, the Cd(II) ion is coordinated by four N atoms and two O atoms from two tridentate 1,3-bis-(1-methyl-1H-benzimidazol-2-yl)-2-oxopropane ligands in a distorted octa-hedral coordination environment. The lengths of the chemically equivalent Cd-O bonds [2.4850?(16) and 2.5488?(16)Å] are signiificantly different. One of the picrate anions is disordered over two sets of sites, with refined occupancies of 0.504?(15) and 0.496?(15). A 0.5-occupancy acetonitrile solvent mol-ecule is disordered over two sites with equal occupancies. The H atoms of a 0.25-occupancy solvent water mol-ecule were neither located nor included in the refinement.

| S-EPMC3089108 | biostudies-literature

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