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(Benzoato-κO)(benzoic acid-κO)(4,4'-dimethyl-2,2'-bipyridine-κN,N')hydroxidocopper(II) monohydrate.

ABSTRACT: In the structure of the title complex, [Cu(C(7)H(5)O(2))(OH)(C(12)H(12)N(2))(C(7)H(6)O(2))]·H(2)O, the Cu(II) ion is penta-coordinated in a tetra-gonal-pyramidal geometry with one O atom of a hydroxide group, one O atom of a benzoate anion and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand occupying the basal plane, and one O atom of a benzoic acid mol-ecule located at the apical site. The title complex was refined with a metal-coordinated OH group and a 'free' benzoic acid molecule, although it can be assumed that the proton is delocalized between the OH and the COOH group. The uncoordinated water mol-ecule is equally disordered over two positions. The structure displays O-H⋯O hydrogen bonding.

SUBMITTER: Yao L

PROVIDER: S-EPMC2972094 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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(Benzoato-κO)(benzoic acid-κO)(4,4'-dimethyl-2,2'-bipyridine-κN,N')hydroxidocopper(II) monohydrate.

Yao Li L Li Wen-Juan WJ

Acta crystallographica. Section E, Structure reports online 20091107 Pt 12

In the structure of the title complex, [Cu(C(7)H(5)O(2))(OH)(C(12)H(12)N(2))(C(7)H(6)O(2))]·H(2)O, the Cu(II) ion is penta-coordinated in a tetra-gonal-pyramidal geometry with one O atom of a hydroxide group, one O atom of a benzoate anion and two N atoms of a 4,4'-dimethyl-2,2'-bipyridine ligand occupying the basal plane, and one O atom of a benzoic acid mol-ecule located at the apical site. The title complex was refined with a metal-coordinated OH group and a 'free' benzoic acid molecule, alth ...[more]

PMID: 21578575

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