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3-Methyl-5-methyl­sulfanyl-1,3,4-thia­diazole-2(3H)-thione

The title compound, C(4)H(6)N(2)S(3), has two very similar mol­ecules per asymmetric unit. The nine non-H atoms in each mol­ecule are coplanar, both having comparable r.m.s. deviations of 0.002 Å. The main inter­est in the rather simple structure resides in a survey of very weak (in some cases, bord...

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Detalles Bibliográficos
Autores principales: Suarez, Sebastian A., Hazari, Saroj K. S., Ganguly, Biplab, Doctorovich, Fabio, G. Roy, Tapashi, Baggio, Ricardo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470395/
https://www.ncbi.nlm.nih.gov/pubmed/23125808
http://dx.doi.org/10.1107/S1600536812040147
Descripción
Sumario:The title compound, C(4)H(6)N(2)S(3), has two very similar mol­ecules per asymmetric unit. The nine non-H atoms in each mol­ecule are coplanar, both having comparable r.m.s. deviations of 0.002 Å. The main inter­est in the rather simple structure resides in a survey of very weak (in some cases, borderline) non-bonding inter­actions 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 mol­ecules 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.