Synthesis and Crystal Structure of a New Cu(II) Dithiocarbamate Complex CuI(prdtc)(phen)

A new mononuclear Cu(II) dithiocarbamate complex CuI(prdtc)(phen) 1 (prdtc = N-pyrrolidinyldithiocarbamate, phen = 1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR spectrum, and single-crystal X-ray diffraction. The crystal belongs to the monoclinic system, space group P2(1)/c with a = 8.7110(9), b = 14.7143(14), c = 14.8507(15) angstrom, beta = 109.721(6)degrees, V = 1791.9(3) angstrom(3), Z = 4, D-c = 1.916 g/cm(3), C17H16CuIN3S2, M-r = 516.89, lambda(MoKa) = 0.71073 angstrom, mu = 3.178 mm(-1), F(000) = 1012, the final R = 0.0369 and wR = 0.0987. A total of 4082 unique reflections were collected, of which 2916 with I > 2 sigma(I) were observed. The Cu(II) atom is five-coordinated in a distorted square-pyramidal geometry by one I atom in the apical position, two S atoms from a prdtc ligand and two N atoms from a phen ligand in the basal plane. There exist face-to-face aromatic pi-pi stacking interactions between adjacent phen ligands stabilizing the: structure and making the complex assemble into a 1D structure along the a axis. It can be concluded. that the difference of the dtc flexibility and reaction conditions result in the structural difference. between complex 1 and CuI(dmdtc)(phen) (dmdtc = N, N-dimethyldithiocarbamate).