X-RAY CRYSTAL-STRUCTURE OF (1-METHYLTHYMINATO)TRIETHYLPHOSPHINEGOLD(I)

The crystal structure of the title compound reveals that the gold atom exists in a linear geometry defined by a P atom [Au-P 2.223(6) Å] and the N(3) atom of the 1-methylthyminate nucleobase [Au-N(3) 2.06(2) Å] with a P-Au-N angle of 178.4(5)°. The crystal lattice is characterized by significant hydrogen bonding contacts involving both the carbonyl oxygen atoms and the solvent water molecule of crystallization. The crystals are monoclinic, space group P21 with unit cell dimensions a 8.037(1), b=11.329(2), c09.501(1) Å, β=104.08(1)°, Z=2. The structure was refined to final R=0.047 for 2069 reflections which satisfied I≥3.0 σ(itI). © 1990 Plenum Publishing Corporation.