Bis-(4-fluoro-benzoato)-κO,O';κO-(4-fluoro-benzoic acid-κO)bis-(nico-tinamide-κN)copper(II)

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m887-8. doi: 10.1107/S1600536811020897. Epub 2011 Jun 11.

Abstract

In the title Cu(II) complex, [Cu(C(7)H(4)FO(2))(2)(C(7)H(5)FO(2))(C(6)H(6)N(2)O)(2)], the Cu(II) cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluoro-benzoate (PFB) anions and one 4-fluoro-benzoic acid (PFBA) mol-ecule, in a distorted octa-hedral geometry. In the mol-ecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxyl-ate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)°, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)°. In the crystal structure, extensive N-H⋯O, C-H⋯F and C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional network. π-π contacts between the benzene rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) Å] further stabilize the crystal structure.