Copper(I) Bromide Complexes with Heterocyclic Thiones and Triphenylphosphine as Ligands. The X-Ray Crystal Structure of Copper(I) Pyrimidine-2-thione-bis(triphenylphosphine) Bromide (Cu(PPh3)2(PymtH)Br).

Abstract Reactions of copper(I) bromide with heterocyclic thiones (L) [L = pyridine-2- thione (py2SH), pyridine-4-thione (py4SH), pyrimidine-2-thione (pymtH), 1,3-thiazolidine- 2-thione (tzdtH), 1-methyl-1,3-imidazoline-2-thione (meimtH), benz-1,3-imidazoline-2- thione (bzimtH2), benz-1,3-oxazoline-2-thione (bzoxtH), 5-nitro-2-benz-1,3-imidazoline-2- thione (nbzimtH2), benz-1,3-thiazoline-2-thione (bztzH) and quinazolinone-2-thione (qnotH2)] in the presence of triphenylphosphine yields mononuclear complexes of the general formula [Cu(L)(PPh3)2Br]. The complexes have been characterized by elemental analysis, IR, UV-vis and NMR spectroscopy. The crystal structure of [Cu(PPh3)2(pymtH)Br] has been determined by single-crystal X-ray diffraction methods. The yellow-orange crystals are monoclinic, space group P21/nwith a = 13.035(2), b = 43.660(9), c = 13.446(2) A, β = 90.68(2)°, and Dcalc = 1.352 g cm−3, V = 7652 A3, R(F) = 0.06 7; Rw(F) = 0.069, GOF = 1.19. In both molecules of the asymmetric unit, the pymtH molecule acts as a monodentate ligand through the S atom (CuS = 2.352(3) A).