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

TLDR: A new mononuclear Cu(Ⅱ) dithiocarbamate complex was synthesized and characterized by elemental analysis, IR spectrum, and single-crystal X-ray diffraction as discussed by the authors.

Abstract: 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 P21/c with a = 8.7110(9),b = 14.7143(14),c = 14.8507(15) ,β = 109.721(6)o,V = 1791.9(3) 3,Z = 4,Dc = 1.916 g/cm3,C17H16CuIN3S2,Mr = 516.89,λ(MoKa) = 0.71073 ,μ = 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 2σ(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 π-π 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).