X-RAY CRYSTAL-STRUCTURE OF (6-N-PROPYL-2-THIOURACILATO)(TRIETHYLPHOSPHINE)GOLD(I)

The crystal structure of the title compound [Et3PAu(PTU)] is reported. There are two molecules in the asymmetric unit and each of the independent Au atoms exists in a linear geometry defined by a P atom of die phosphine ligand and a thiolate S atom derived from the thionucleobase; molecule 1: Au - P 2.255(5), Au - S 2.314(5) angstrom, P - Au - S 176.9(2)-degrees and molecule 2: Au - P 2.249(5), Au - S 2.328(4) angstrom and P - Au - S 175.0(2)-degrees. The lattice features weak Au ... Au contacts of 3.486(1) angstrom and hydrogen bonding interactions involving the oxo and N - H groups. Crystals are monoclinic, space group P2(1)/c with unit cell dimensions: a = 21.445(2), b = 8.931(2), c = 17.956(3) angstrom; beta = 96.09(1)-degrees and Z = 8. The structure was refined by a full-matrix least-squares procedure to final R = 0.053 using 2875 reflections with I greater-than-or-equal-to 3.0sigma(I).