Abstract:
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. 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.
Registro:
Documento: |
Artículo
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Título: | 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione |
Autor: | Suarez, S.A.; Hazari, S.K.S.; Ganguly, B.; Doctorovich, F.; Roy, T.G.; Baggio, R. |
Filiación: | Departamento de Quimica Inorganica, Analitica y Quimica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Argentina University of Chittagong, Chittagong 4331, Bangladesh Gerencia de Investigación y Aplicaciones, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Buenos Aires, Argentina
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Año: | 2012
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Volumen: | 68
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Número: | 10
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Página de inicio: | o3045
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Página de fin: | o3046
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DOI: |
http://dx.doi.org/10.1107/S1600536812040147 |
Título revista: | Acta Crystallographica Section E: Structure Reports Online
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Título revista abreviado: | Acta Crystallogr. Sect. E Struct. Rep. Online
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ISSN: | 16005368
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PDF: | https://bibliotecadigital.exactas.uba.ar/download/paper/paper_16005368_v68_n10_po3045_Suarez.pdf |
Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n10_po3045_Suarez |
Referencias:
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Citas:
---------- APA ----------
Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G. & Baggio, R.
(2012)
. 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione. Acta Crystallographica Section E: Structure Reports Online, 68(10), o3045-o3046.
http://dx.doi.org/10.1107/S1600536812040147---------- CHICAGO ----------
Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G., Baggio, R.
"3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione"
. Acta Crystallographica Section E: Structure Reports Online 68, no. 10
(2012) : o3045-o3046.
http://dx.doi.org/10.1107/S1600536812040147---------- MLA ----------
Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G., Baggio, R.
"3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione"
. Acta Crystallographica Section E: Structure Reports Online, vol. 68, no. 10, 2012, pp. o3045-o3046.
http://dx.doi.org/10.1107/S1600536812040147---------- VANCOUVER ----------
Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G., Baggio, R. 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione. Acta Crystallogr. Sect. E Struct. Rep. Online. 2012;68(10):o3045-o3046.
http://dx.doi.org/10.1107/S1600536812040147