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Diaqua-bis-(4-bromo-benzoato-?O)bis-(nicotinamide-?N)copper(II).

ABSTRACT: The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol-ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo-benzoate (PBB) ligands and two coordinated water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 22.17?(16)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80?(6)°. In the crystal, N-H?O, O-H?O and C-H?O hydrogen bonds link the mol-ecules into a three-dimensional network. A weak C-H?? inter-action is also observed.

SUBMITTER: Necefoglu H

PROVIDER: S-EPMC3151863 | biostudies-other | 2011 Jul

REPOSITORIES: biostudies-other

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Diaqua-bis-(4-bromo-benzoato-κO)bis-(nicotinamide-κN)copper(II).

Necefoğlu Hacali H Ozbek Füreya Elif FE Oztürk Vijdan V Tercan Barış B Hökelek Tuncer T

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The asymmetric unit of the title mononuclear Cu(II) complex, [Cu(C(7)H(4)BrO(2))(2)(C(6)H(6)N(2)O)(2)(H(2)O)(2)], contains one half-mol-ecule, the Cu(II) atom being located on an inversion center. The unit cell contains two nicotinamide (NA), two 4-bromo-benzoate (PBB) ligands and two coordinated water mol-ecules. The four O atoms in the equatorial plane around the Cu(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed b ...[more]

PMID: 21836889

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