Crystal and molecular structure of catena-[dichloro(8-mercaptopurine)copper(I)]

Abstract

The title compound, C₅H₅N₄S·CuCl₂, crystallises as monoclinic needles, with a= 9.464(5), b= 6.119(3), c= 19.69(1)Å, β= 124.78(5)°, Z= 4, space group P2₁/c. The structure was determined by the heavy-atom method from diffractometer data and refined by full-matrix least-squares methods to a final R of 0.050 for 1 253 reflections. The structure is polymeric, consisting of infinite columns of 8-mercaptopurine units which are bonded to copper chloride via their sulphur atoms. The chains of–S–Cu–S–Cu– bonds from a helix around the two-fold crystallographic axixs.