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

ABSTRACT: 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.

SUBMITTER: Xie XN

PROVIDER: S-EPMC3379093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Diaqua-bis-(1,10-phenanthroline-κN,N')cadmium sulfate hexa-hydrate.

Project description:The title compound, [Cd(C(12)H(8)N(2))(2)(H(2)O)(2)]SO(4)·6H(2)O, was obtained unexpectedly during an attempt to synthesize a cadmium complex with bidentate bridging sulfate ligands via hydro-thermal synthesis. The Cd(II) metal ion is six-coordinated by two chelating 1,10-phenanthroline ligands and two water mol-ecules, resulting in a distorted octa-hedral geometry for the metal ion. The two chelating N(2)C(2) groups are almost perpendicular to each other [dihedral angle = 86.75 (2)°]. In the crystal, the [Cd(C(12)H(8)N(2))(2)(H(2)O)(2)](2+) complex cations join with the sulfate anions through two O(water)-H⋯O(sulfate) hydrogen bonds. These ion pairs are further inter-linked into a two-dimensional supermolecular structure via additional O-H⋯O hydrogen bonds.

| S-EPMC3247531 | biostudies-literature

Diaqua-bis-(5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ato-κN,O)cadmium(II) 3.5-hydrate.

Project description:In the title complex, [Cd(C(8)H(9)N(2)O(4))(2)(H(2)O)(2)]·3.5H(2)O, the Cd(II) is coordinated by two water mol-ecules and N,O-chelated by two 5-carb-oxy-2-propyl-1H-imidazole-4-carboxyl-ate anions in a distorted octa-hedral geometry. The two imidazole rings are oriented to each other with a dihedral angle of 75.1 (2)°. Strong O-H⋯O hydrogen bonds between protonated and deprotonated carboxyl-ate groups occur in the mol-ecular structure. In the crystal structure extensive O-H⋯O and N-H⋯O hydrogen bonds help to stabilize the three-dimensional supra-molecular framework. The propyl groups of anions are disordered over two sites with refined occupancies of 0.768 (6):0.232 (6) and 0.642 (8):0.358 (8).

| S-EPMC3007830 | biostudies-literature

Diaqua-bis-(1H-imidazole-κN(3))bis-(4-nitro-benzoato-κO(1))cadmium.

Project description:In the centrosymmetric title compound, [Cd(C(7)H(4)NO(4))(2)(C(3)H(4)N(2))(2)(H(2)O)(2)], the Cd(II) atom, located on an inversion center, is coordinated by two N atoms and four O atoms in an octa-hedral geometry. The inter-nal cohesion of the mol-ecule is enhanced by an intra-molecular O-H⋯O hydrogen bond. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonds and π-π contacts [centroid-centroid distance = 3.6549 (2) Å] define two-dimensional networks parallel to (001), which are further connected by weaker C-H⋯O inter-actions into a weakly connected three-dimensional supra-molecular framework.

| S-EPMC3435578 | biostudies-literature

Bis{1-[(1H-benzotriazol-1-yl)meth-yl]-2-methyl-1H-imidazole-κN(3)}dichlorido-cobalt(II).

Project description:In the title mononuclear complex, [CoCl(2)(C(11)H(11)N(5))(2)], the Co(II) atom is four-coordinated by two ligand N atoms and two Cl atoms in a distorted tetra-hedral geometry. In the crystal, mol-ecules are stacked through π-π inter-actions [centroid-centroid distances = 3.473 (2), 3.807 (3), 3.883 (2) and 3.676 (2) Å], forming a three-dimensional supra-molecular network.

| S-EPMC3393205 | 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

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

Hexa-kis-(1H-imidazole-κN)iron(II) sulfate-1H-imidazole (1/2).

Project description:The asymmetric unit of the title compound, [Fe(C(3)H(4)N(2))(6)]SO(4)·2C(3)H(4)N(2), contains two complex cations, two sulfate anions and four imidazole mol-ecules. In both cations, the Fe(II) atom is coordinated by six monodentate imidazole ligands and exhibits a slightly distorted octa-hedral coordination geometry. The Fe-N distances [2.184 (4)-2.218 (4) Å] point to a high-spin state of the Fe(2+) ions. N-H⋯O hydrogen bonds between the ionic components generate a three-dimensional framework containing corrugated channels along [001], which are filled by N-H⋯N hydrogen-bonded imidazole chains.

| S-EPMC3247524 | biostudies-literature

Bis(μ-2,2'-bi-1H-imidazole-1,1'-di-acet-ato)bis-[diaqua-cobalt(II)] hexa-hydrate.

Project description:The dinuclear title compound, [Co(2)(C(10)H(8)N(4)O(4))(2)(H(2)O)(4)]·6H(2)O, lies about an inversion centre. Each Co(II) atom is six-coordinated by two water mol-ecules, two carboxyl-ate O atoms and two N atoms of two symmetry-related 2,2'-bi-1H-imidazole-1,1'-diacetate (L(2-)) ligands in a slightly distorted octa-hedral geometry. Mol-ecules are linked into a three-dimensional framework via O-H⋯O and C-H⋯O hydrogen bonds.

| S-EPMC2977594 | biostudies-literature

Diaqua-bis-(4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ato-κN,O)cadmium dihydrate.

Project description:The asymmetric unit of the title compound, [Cd(C(7)H(7)N(2)O(4))(2)(H(2)O)(2)]·2H(2)O, consists of one Cd(II) ion, one 4-carb-oxy-2-ethyl-1H-imidazole-5-carboxyl-ate anion, one coordinated water mol-ecule and one lattice water mol-ecule. The Cd(II) ion lies on a twofold axis, and is hexa-coordinated by four O atoms from water mol-ecules and carboxyl-ate groups and two N atoms from two imidazole rings, in a distorted octa-hedral arrangement. An extensive framework of N-H⋯O and O-H⋯O hydrogen bonds with the participation of coordinated and free water mol-ecules is found in the crystal structure, which contributes to the formation of a three-dimensional structure.

| S-EPMC3151988 | biostudies-literature

μ-Oxalato-κO,O:O,O-bis-[diaqua-(2,2'-bipyridyl-κN,N')zinc] bis-[2-(1H-benzotriazol-1-yl)acetate] hexa-hydrate.

Project description:The asymmetric unit of the title compound, [Zn(2)(C(2)O(4))(C(10)H(8)N(2))(2)(H(2)O)(4)](C(8)H(6)N(3)O(2))(2)·6H(2)O, contains one half of the centrosymmetric binuclear cation, one anion and three water mol-ecules. In the cation, the oxalate ligand bridges two Zn(II) ions in a bis-bidentate fashion, so each Zn(II) ion is coordinated by two O atoms from the oxalate ligand, two N atoms from two 2,2'-bipyridine ligands and two water mol-ecules in a distorted octa-hedral arrangement. The mean planes of the oxalate and 2,2'-bipyridine ligands form a dihedral angle of 80.0 (1)°. An extensive three-dimensional hydrogen-bonding network formed by classical O-H⋯O and O-H⋯N inter-actions consolidates the crystal packing.

| S-EPMC3274917 | biostudies-literature

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