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Crystal structure of aqua-bis-[4-(methyl-sulfan-yl)benzoato-?O](1,10-phenanthroline-?(2) N,N')copper(II) monohydrate.

ABSTRACT: In the title compound, [Cu(C8H7O2S)2(C12H8N2)(H2O)]·H2O, the central Cu(II) atom is five-coordinated in a slightly distorted square-pyramidal environment by two N atoms from a 1,10-phenanthroline ligand, one O atom from the carboxylate group of one 4-(methyl-sulfan-yl)benzoate anion and one water O atom in the equatorial plane while the apical position is occupied by the O atom of a carboxylate group of the second anion. In the crystal, a three-dimensional supra-molecular network is formed through weak inter-molecular C-H?O and C-H?S inter-actions and ?-stacking between the 1,10-phenanthroline ligand and the aromatic rings of symmetry-related 4-(methyl-sulfan-yl)benzoate ligands.

SUBMITTER: Zhu JL

PROVIDER: S-EPMC4571371 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of aqua-bis-[4-(methyl-sulfan-yl)benzoato-κO](1,10-phenanthroline-κ(2) N,N')copper(II) monohydrate.

Zhu Jin-Li JL Li Jian-Hua JH Wang Miao M Jiang Guo-Min GM Jiang Guo-Qing GQ

Acta crystallographica. Section E, Crystallographic communications 20150729 Pt 8

In the title compound, [Cu(C8H7O2S)2(C12H8N2)(H2O)]·H2O, the central Cu(II) atom is five-coordinated in a slightly distorted square-pyramidal environment by two N atoms from a 1,10-phenanthroline ligand, one O atom from the carboxylate group of one 4-(methyl-sulfan-yl)benzoate anion and one water O atom in the equatorial plane while the apical position is occupied by the O atom of a carboxylate group of the second anion. In the crystal, a three-dimensional supra-molecular network is formed throu ...[more]

PMID: 26396770

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