Bis[1-phenyl-3-(1H-1,2,4-triazol-1-yl-κN(4))propan-1-one]bis-(thio-cyanato-κN)copper(II)

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1115. doi: 10.1107/S160053681203108X. Epub 2012 Jul 25.

Abstract

The title compound, [Cu(NCS)(2)(C(11)H(11)N(3)O)(2)], contains two independent Cu(II) atoms. Each Cu(II) atom, lying on an inversion center, is coordinated by two N atoms from two NCS(-) anions and two N atoms from two monodentate 1-phenyl-3-(1H-1,2,4-triazol-1-yl)propan-1-one ligands in a distorted square-planar geometry. Two S atoms from adjacent mol-ecules occupy the axial positions with long Cu⋯S distances [3.0495 (10) and 3.1045 (9) Å] and complete the overall distorted octahedral coordination sphere. Weak inter-molecular C-H⋯O hydrogen bonds are present.