3-Methyl-5-methyl-sulfanyl-1,3,4-thia-diazole-2(3H)-thione

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o3045-6. doi: 10.1107/S1600536812040147. Epub 2012 Sep 29.

Abstract

The title compound, C(4)H(6)N(2)S(3), has two very similar mol-ecules per asymmetric unit. The nine non-H atoms in each mol-ecule are coplanar, both having comparable r.m.s. deviations of 0.002 Å. The main inter-est in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding inter-actions of various kinds, viz. S⋯S, C-H⋯π, π-π [centroid-centroid distance = 3.8958 (13) Å] and C-S⋯π [3.7271 (11) Å], which act as the major driving force for the arrangement of mol-ecules in the structure. The role of long, though highly directional, S⋯S contacts (d > 3.60 Å), and their relevance to the stability of the structure is discussed.