Bis(4-fluorobenzoato)-kappa O-2,O ';kappa O-(4-fluorobenzoic acid-kappa O)bis(nicotinamide-kappa N-1)copper(II)

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Necefoglu H., Ozbek F. E., Ozturk V., TERCAN B., HÖKELEK T.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, vol.67, 2011 (SCI-Expanded) identifier identifier identifier


In the title Cu-II complex, [Cu(C7H4FO2)(2)(C7H5FO2)(C6H6N2O)(2)], the Cu-II cation is coordinated by two N atoms of two nicotinamide (NA) ligands, and by four O atoms from two 4-fluorobenzoate (PFB) anions and one 4-fluorobenzoic acid (PFBA) molecule, in a distorted octahedral geometry. In the molecule, two Cu-O bond lengths are significantly longer than the other two. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 11.08 (14), 7.62 (13) and 5.73 (11)degrees, while the benzene rings are oriented at dihedral angles of 15.62 (6), 33.71 (8) and 26.60 (8)degrees. In the crystal structure, extensive N-H center dot center dot center dot O, C-H center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. pi-pi contacts between the benzene rings [centroid-to-centroid distances = 3.5517 (15), 3.8456 (14) and 3.9265 (13) angstrom] further stabilize the crystal structure.