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Inicio » Actividades I+D > Publicaciones 2012 > 3-Methyl-5-methylsulfanyl-1,3,4-thiadiaz...
artículo con referato
S.A. Suarez, S.K.S. Hazari, B. Ganguly, F. Doctorovich, T.G. Roy and R. Baggio
Acta Cryst. E 68(10) (2012) o3045-o3046
The title compound, C4H6N2S3, 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. SS, C–Hπ, ππ [centroid-centroid distance = 3.8958 (13) Å] and C–Sπ [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, SS contacts (d > 3.60 Å), and their relevance to the stability of the structure is discussed.
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