Diaqua-bis-(N,N'-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)copper(II)

Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):m780-1. doi: 10.1107/S1600536811018666. Epub 2011 May 20.

Abstract

The title Cu(II) complex, [Cu(C(9)H(9)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], contains two 4-ethyl-benzoate (PEB) ligands, two monodentate diethyl-nicotinamide (DENA) ligands and two 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 distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Intra-molecular O-H⋯O hydrogen bonds link the water mol-ecules to the carboxyl-ate groups. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 4.6 (3) and 3.7 (2)°, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82 (11) and 3.63 (14)°. In the crystal, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into chains propagating along [010]. C-H⋯O inter-actions and a π-π contact between the pyridine rings [centroid-centroid distance = 3.469 (2) Å] are also observed.