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Aqua-chlorido(4-methyl-benzoato-?O)(1,10-phenanthroline-?N,N')copper(II).

ABSTRACT: In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H?Cl, C-H?O, O-H?Cl and O-H?O hydrogen bonds, as well as C-H?? inter-actions of phenanthroline and methyl H atoms towards the ?-systems of neighboring 4-methyl-benzoate units and the pyridine rings of the phenanthroline system [centroid-centroid distances are 2.706?(2) and 2.992?(1)?Å, respectively].

SUBMITTER: Song WD

PROVIDER: S-EPMC2961304 | biostudies-literature | 2008 Apr

REPOSITORIES: biostudies-literature

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Aqua-chlorido(4-methyl-benzoato-κO)(1,10-phenanthroline-κN,N')copper(II).

Song Wen-Dong WD Wang Hao H Miao Yan-Li YL

Acta crystallographica. Section E, Structure reports online 20080426 Pt 5

In the title mononuclear complex, [Cu(C(8)H(7)O(2))Cl(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is coordinated by one carboxylate O atom from a monodentate 4-methyl-benzoate ligand, two N atoms from the 1,10-phenanthroline ligand, one chloride ion and one water mol-ecule in a square-pyramidal geometry. The crystal structure exhibits inter- and intra-molecular C-H⋯Cl, C-H⋯O, O-H⋯Cl and O-H⋯O hydrogen bonds, as well as C-H⋯π inter-actions of phenanthroline and methyl H atoms towards the π-systems of ...[more]

PMID: 21202243

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