Acta Cryst. (2012). E68, m1180
[ doi:10.1107/S1600536812035386 ]
Abstract: The CuII atom in the title compound, [Cu(C13H11N4O)(NCO)], is N,N',O-chelated by the mono-deprotonated Schiff base ligand and it is also covalently bonded to the nitrogen end of the cyanate ion. The CuII atom shows a square-planar coordination that is distorted towards square-pyramidal owing to an intermolecular CuNcyanate interaction [2.623 (2) Å], which gives a centrosymmetric dimer. In the square-planar description, the CuII atom is displaced out of the square plane [r.m.s. deviation = 0.048 Å] by 0.084 (1) Å in the direction of the apical occupant. In the crystal, adjacent complex dimers are linked by an amine N-HN hydrogen-bond pair, also giving a centrosymmetric cyclic association [graph set R22(8)], generating a linear chain parallel to .
Copyright © International Union of Crystallography