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Aqua-bis-(4-fluoro-benzoato-?O)bis-(nicotinamide-?N)copper(II) nicotinamide hemisolvate trihydrate.

ABSTRACT: The asymmetric unit of the title compound, [Cu(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·0.5C(6)H(6)N(2)O·3H(2)O, contains two aqua-bis-(4-fluoro-benzoato)bis-(nicotinamide)-copper(II) mol-ecules, one nicotinamide solvent mol-ecule and six water mol-ecules. The Cu(II) ion is coordinated by two O atoms from two 4-fluoro-benzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O-H?O, O-H?N and N-H?O hydrogen bonds consolidate the crystal packing, which also exhibits ?-? inter-actions between the aromatic rings [centroid-centroid distances 3.692?(2)-3.794?(2)?Å].

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3254320 | biostudies-literature | 2012 Jan

REPOSITORIES: biostudies-literature

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Aqua-bis-(4-fluoro-benzoato-κO)bis-(nicotinamide-κN)copper(II) nicotinamide hemisolvate trihydrate.

Necefoğlu Hacali H Ozbek Füreya Elif FE Oztürk Vijdan V Adıgüzel Vedat V Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20111217 Pt 1

The asymmetric unit of the title compound, [Cu(C(7)H(4)FO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)]·0.5C(6)H(6)N(2)O·3H(2)O, contains two aqua-bis-(4-fluoro-benzoato)bis-(nicotinamide)-copper(II) mol-ecules, one nicotinamide solvent mol-ecule and six water mol-ecules. The Cu(II) ion is coordinated by two O atoms from two 4-fluoro-benzoate ligands, two N atoms from two nicotinamide ligands and one water O atom in a distorted square-pyramidal geometry. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds ...[more]

PMID: 22259352

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