Crystal and molecular structure of 2-mercaptobenzothiozole — A redetermination

The structure of the title compound, C7H5NS2, was re-determined in order to verify the presence of any discrepancies like shorter bond-length between two of the carbon atoms or the presence of unusual hydrogen bonding which were reported in the earlier literature. The crystals are monoclinic, space group P21/n with cell parameters a = 8.014(2) Å, b = 6.004(2)Å, c = 15.393(2)Å, ß = 100.72(2)°, Dc = 1.526 g cm-3, which agree well with those reported earlier. The present work does not have the discrepancies reported earlier. The structure was refined by full-matrix least-squares refinement to a final R = 0.035 for 1017 unique reflections. © 1985, Walter de Gruyter. All rights reserved.