Synthesis and crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2-one

The x-ray crystal structure of 4,5-(cis-cyclohexylenedithio)-1,3-dithiole-2 -one has been determined. Yellow block shaped crystals of C9H10OS4 crystall ize in the space group P (1) over bar with cell dimensions a = 8.872(4), b = 9.330(8), c = 14.333(12) Angstrom, alpha = 95.23(7), beta = 91.09(5), gam ma = 107.60(5)degrees, V = 1124.8(14) Angstrom(3), and Z = 4. This compound has two S---S contacts [3.574, 3.610 Angstrom] shorter than 3.70 Angstrom and the usual disordered ethylene moiety [C(3)- C(8)] of the six-membered r ing is fixed by the cis-cyclohexylene subsitituent. This means that it may be a new precursor for conducting and strong near-IR absorbing nickel-dithi olenes. Also, it provides the first example of polymorphism of the dmit der ivatives and contains two independent molecules I and II in the asymmetric unit.