Diaquabis(4-bromobenzoato-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


The asymmetric unit of the title mononuclear Cu-II complex, [Cu(C7H4BrO2)(2)(C6H6N2O)(2)(H2O)(2)], contains one half-molecule, 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 molecules. The four O atoms in the equatorial plane around the Cu-II ion form a slightly distorted square-planar arrangement, while the slightly distorted octahedral coordination is completed by the two N atoms of the NA ligands in the axial positions. The dihedral angle between the carboxylate group and the adjacent benzene ring is 22.17 (16)degrees, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 82.80 (6)degrees. In the crystal, N-H center dot center dot center dot O, O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds link the molecules into a three-dimensional network. A weak C-H center dot center dot center dot pi interaction is also observed.