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

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m900-1. doi: 10.1107/S1600536811021696. Epub 2011 Jun 11.

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⋯π inter-action is also observed.