Electrochemical synthesis and crystal structure of copper(I) complex with benzo-1,3-thiozoline-2-thione

Complex [Cu(bztzt)(Hbztzt) (PPh3)(2)] was synthesized by electrochemical ox idation of copper in an acetonitrile solution of benzo - 1,3 - thiozoline - 2 - thione (Hbztzt) and triphenylphosphine (PPh3), and characterized by el emental analysis and IR spectrum. The complex was dissolved in CS2, from wh ich yellow crystal formed. The structure of the crystal was shown to be [Cu (bztzt) (Hbztzt)(PPh3)(2)]. CS2 by an X - ray structure determination. Crys tal is triclinic, space group P (1) over bar, with a =1.0159(2)nm, b =1.420 0(2)nm, c = = 1.8072(3)nm, alpha = 78.12(1)degrees, beta = 86.56(1)degrees, gamma = 67.65(1)degrees, Z = 2. The structure was refined to R = 0.0348 an d R-w = 0.0316 for 4869 reflections. The copper atom is pseudotetrahedrally coordinated by two P atoms from PPh3 and two exocyclic S atoms from bztzt( -) and Hbztzt ligands respectively. The ligands of bztzt(-) and Hbztzt were "averaged" by the presence of hydrogen bond (N-H . . .N) between them. Toe bond distances of two Cu-S are 0.2372nm and 0.2410nm.