Document Detail


3-Methyl-5-methyl-sulfanyl-1,3,4-thia-diazole-2(3H)-thione.
MedLine Citation:
PMID:  23125808     Owner:  NLM     Status:  In-Data-Review    
Abstract/OtherAbstract:
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.
Authors:
Sebastian A Suarez; Saroj K S Hazari; Biplab Ganguly; Fabio Doctorovich; Tapashi G Roy; Ricardo Baggio
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Publication Detail:
Type:  Journal Article     Date:  2012-09-29
Journal Detail:
Title:  Acta crystallographica. Section E, Structure reports online     Volume:  68     ISSN:  1600-5368     ISO Abbreviation:  Acta Crystallogr Sect E Struct Rep Online     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-11-05     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  101089178     Medline TA:  Acta Crystallogr Sect E Struct Rep Online     Country:  United States    
Other Details:
Languages:  eng     Pagination:  o3045-6     Citation Subset:  -    
Affiliation:
Departamento de Química Inorgánica, Analítica y Química, Física/INQUIMAE-CONICET, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina.
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