Kunnath Roji J, Prathapachandra Kurup M R, Ng Seik Weng
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1180. doi: 10.1107/S1600536812035386. Epub 2012 Aug 23.
The Cu(II) atom in the title compound, [Cu(C(13)H(11)N(4)O)(NCO)], is N,N',O-chelated by the mono-deprotonated Schiff base ligand and it is also covalently bonded to the nitro-gen end of the cyanate ion. The Cu(II) atom shows a square-planar coordination that is distorted towards square-pyramidal owing to an inter-molecular Cu⋯N(cyanate) inter-action [2.623 (2) Å], which gives a centrosymmetric dimer. In the square-planar description, the Cu(II) 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-H⋯N hydrogen-bond pair, also giving a centrosymmetric cyclic association [graph set R(2) (2)(8)], generating a linear chain parallel to [110].