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

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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...

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Autores principales: Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G., Baggio, R.
Formato: Artículo publishedVersion
Lenguaje:Inglés
Publicado: 2012
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paperaa:paper_16005368_v68_n10_po3045_Suarez
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spelling paperaa:paper_16005368_v68_n10_po3045_Suarez2023-06-12T16:50:50Z 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione Acta Crystallogr. Sect. E Struct. Rep. Online 2012;68(10):o3045-o3046 Suarez, S.A. Hazari, S.K.S. Ganguly, B. Doctorovich, F. Roy, T.G. Baggio, R. 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. Fil:Suarez, S.A. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Doctorovich, F. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. 2012 info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion application/pdf eng info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
language Inglés
orig_language_str_mv eng
description 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.
format Artículo
Artículo
publishedVersion
author Suarez, S.A.
Hazari, S.K.S.
Ganguly, B.
Doctorovich, F.
Roy, T.G.
Baggio, R.
spellingShingle 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
author_facet Suarez, S.A.
Hazari, S.K.S.
Ganguly, B.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author_sort Suarez, S.A.
title 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title_short 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title_full 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title_fullStr 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title_full_unstemmed 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title_sort 3-methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3h)-thione
publishDate 2012
url http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
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AT hazarisks 3methyl5methylsulfanyl134thiadiazole23hthione
AT gangulyb 3methyl5methylsulfanyl134thiadiazole23hthione
AT doctorovichf 3methyl5methylsulfanyl134thiadiazole23hthione
AT roytg 3methyl5methylsulfanyl134thiadiazole23hthione
AT baggior 3methyl5methylsulfanyl134thiadiazole23hthione
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