Crystal and molecular structure of chlorobis(2,2′-bipyridyl)copper(II) chloride hexahydrate

Abstract

The crystal structure of the title compound has been determined by X-ray diffraction methods from three-dimensional counter data. The structure was solved by Patterson and Fourier methods and refined by least squares to R 0·064 for 1307 independent reflections. The complex crystallises in the orthorhombic space group Pnan, with dimensions a= 14·376 ± 0·027. b= 14·833 ± 0·028, c= 23·339 ± 0·061 Å, and Z= 8. The cation has C₂ symmetry and the environment about the copper atom is trigonal bipyramidal. The trigonal plane is formed by a nitrogen atom from each bipyridyl ligand (Cu–N 2·08 Å, subtending an angle of 123° at Cu) and the chlorine atom (Cu–Cl 2·36 Å). The remaining two bipyridyl nitrogen atoms occupy axial positions (Cu–N 1·98 Å) and the direction between these two nitrogen atoms lies 11·5° from the normal to the trigonal plane. The cations pack in sheets perpendicular to c at z=¼ and ¾. The anionic chlorine atom and the water molecules are disordered in the channels between the cation sheets.