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Diaqua-bis(4-methyl-benzoato-?O,O')cadmium(II).

ABSTRACT: In the title mononuclear complex, [Cd(C(8)H(7)O(2))(2)(H(2)O)(2)], the Cd(II) atom possesses crystallographically imposed C(2) site symmetry, and is coordinated by four O atoms from two 4-methyl-benzoate ligands and two water mol-ecules, displaying a distorted octa-hedral geometry. The molecules are assembled via inter-molecular O-H?O hydrogen-bond inter-actions into a supra-molecular architecture.

SUBMITTER: Huang XH

PROVIDER: S-EPMC2915110 | biostudies-literature | 2007 Dec

REPOSITORIES: biostudies-literature

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Diaqua-bis(4-methyl-benzoato-κO,O')cadmium(II).

Huang Xiang-Hu XH Hong Peng-Zhi PZ Song Wen-Dong WD

Acta crystallographica. Section E, Structure reports online 20071212 Pt 1

In the title mononuclear complex, [Cd(C(8)H(7)O(2))(2)(H(2)O)(2)], the Cd(II) atom possesses crystallographically imposed C(2) site symmetry, and is coordinated by four O atoms from two 4-methyl-benzoate ligands and two water mol-ecules, displaying a distorted octa-hedral geometry. The molecules are assembled via inter-molecular O-H⋯O hydrogen-bond inter-actions into a supra-molecular architecture. ...[more]

PMID: 21200523

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Diaqua-bis(4-methyl-benzoato-κO)zinc(II).

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Diaqua-bis(4-methyl-amino-benzoato-?O)bis-(nicotinamide-?N)nickel(II).

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Aqua-bis(1H-imidazole-?N)bis-(4-methyl-benzoato-?O,O')cadmium(II).

Project description:In the title compound, [Cd(C(8)H(7)O(2))(2)(C(3)H(4)N(2))(2)(H(2)O)], the Cd(II) atom is coordinated by four carboxyl-ate O atoms from two bidentate chelating 4-methyl-benzoate ligands, two N atoms from two imidazole ligands and one water mol-ecule in a distorted penta-gonal bipyramidal geometry. Inter-molecular O-H?O hydrogen bonds between the coordinated water mol-ecule and the carboxyl-ate O atoms of 4-methyl-benzoate lead to an infinite chain. These chains are further self-assembled into a two-dimensional layer through N-H?O hydrogen bonds between the imidazole ligands and carboxyl-ate groups. One of the imidazole ligands is disordered over two positions with site-occupancy factors of 0.737?(4) and 0.263?(4).

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Project description:In the dinuclear centrosymmetric Cd(II) compound, [Cd(2)(C(8)H(8)NO(2))(4)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], the metal atom is chelated by two carboxyl-ate groups from 4-(methyl-amino)-benzoate (PMAB) anions, and coordinated by one nicotinamide and one water mol-ecule; a carboxyl-ate O atom from the adjacent PMAB anion bridges to the Cd atom, completing the irregular seven-coordination geometry. In the crystal, inter-molecular O-H?O, N-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. ?-? contacts between the pyridine rings [centroid-centroid distance = 3.965?(1)?Å] may further stabilize the structure. A weak C-H?? inter-action also occurs.

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