Behaviour of thiocarbonohydrazidium cation as a ligand. Crystal and molecular structure of dichloro(1H+-thiocarbonohydrazidium-NS)-copper(II) chloride

Abstract

Crystals of the title compound are triclinic, space group P, with Z= 2 in a unit cell of dimensions: a= 8.310(6)b= 8.566(5), c= 5.902(5)Å, α= 103.9(2), β= 99.2(2), γ= 83.1(2)°. The structure was solved from diffracto-meter data by Patterson and Fourier methods and refined by block-diagonal least-squares to R 0.046 for 1 454 observed reflections. The structure consists of complex cations consisting of copper, two chlorine atoms, and one chelating monoprotonated thiocarbonohydrazide molecule, and chloride anions. Copper is approximately square-planar co-ordinated, the corners being occupied by two co-ordinated chlorines, and by one sulphur and one nitrogen of a chelating ligand, which is in a cis,cis-conformation. By taking into account a long interaction between copper and the chloride ion Cl(3)[Cu ⋯ Cl(3) 3.051 Å] the co-ordination polyhedron around copper can be considered as an elongated square pyramid.