Diaquabis(N,N'-diethylnicotinamide-kappa N 1)bis(4-ethylbenzoato-kappa O)copper(II)

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Necefoglu H., Maraci A., Aktas V., Tercan B., HÖKELEK T.

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


The title CuII complex, [Cu(C9H9O2)(2)(C10H14N2O)(2)(H2O)(2)], contains two 4-ethylbenzoate (PEB) ligands, two monodentate diethylnicotinamide (DENA) ligands and two water molecules. The four O atoms in the equatorial plane around the CuII ion form a slightly distorted square-planar arrangement, while the distorted octahedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. Intramolecular O-H...O hydrogen bonds link the water molecules to the carboxylate groups. The dihedral angles between the carboxylate groups and the adjacent benzene rings are 4.6 (3) and 3.7 (2)degrees, while the pyridine rings and the benzene rings are oriented at dihedral angles of 6.82 (11) and 3.63 (14)degrees. In the crystal, intermolecular O-H...O hydrogen bonds link the molecules into chains propagating along [010]. C-H...O interactions and a pi-pi contact between the pyridine rings [centroid-centroid distance = 3.469 (2) A] are also observed.