Crystal Structure and Spectroscopic Properties of the Monoaquobis (N-thiocyanate) (2,2′-dipyridylamine)copper(II) Complex

The monoaquobis (N-thiocyanate)(2,2′-dipyridylamine)copper(II) complex has been synthesized and characterized. Its crystal structure has been resolved at room temperature. The complex crystallizes in the monoclinic space group P2₁/n, with a = 10.688(1) Å, b = 11.104(2) Å, c = 12.982(2) Å β = 102.63(1)° and Z = 4. The structure consists of discrete molecules in which the copper(II) ion is pentacoordinated with a distorted square pyramidal geometry. The ESR and diffuse reflectance spectra are in good agreement with the structural results. The covalence factor has been calculated from the ESR and reflectance measurements (K = 0.79).