Crystal structure analysis of {bis-2,6-(3,5-dimethylprazolyl) pyridine-dicyanato}copper(II)monohydrate

Abstract

A monotruclear copper(II) complex, [Cu(dmpp)(OCN)(2)(H2O)], was synthesized using 2,6-bis (3,5-dimethylpyrazolyl) pyridine (dmpp) and cyanate anion (OCN), and characterized by single crystal X-ray diffraction. The coordination around the Cu atom is a distorted square-pyramid involving three N atoms from the dmpp ligand and one N atom from OCN at the basal plane. The 0 atom of the OCN group is located at the apical position. The Cu atom is located 0.2782(1) angstrom above the basal plane. The Cu atom is coordinated by different donor atoms of the OCN groups. The complex crystalizes in monoclinic space group P2(1)/n, with unit cell dimensions a= 12.4413(12), b=11.1457(13), c=14.2203(12) angstrom, beta=108.817(3)degrees, V= 1866.5(3) angstrom(3). The cell containes 4 molecules. In the crystal, there are three intermolcular and three intramolecular hydrogen bonds interactions. The Cu atom and crystal water O interactions is 5.574 angstrom.