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

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, Sebastian, Doctorovich, Fabio Ariel
Publicado: 2012
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n10_po3045_Suarez
http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
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Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_16005368_v68_n10_po3045_Suarez
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spelling paper:paper_16005368_v68_n10_po3045_Suarez2023-06-08T16:24:58Z 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione Suarez, Sebastian Doctorovich, Fabio Ariel 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 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n10_po3045_Suarez 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)
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.
author Suarez, Sebastian
Doctorovich, Fabio Ariel
spellingShingle Suarez, Sebastian
Doctorovich, Fabio Ariel
3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
author_facet Suarez, Sebastian
Doctorovich, Fabio Ariel
author_sort Suarez, Sebastian
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 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_16005368_v68_n10_po3045_Suarez
http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
work_keys_str_mv AT suarezsebastian 3methyl5methylsulfanyl134thiadiazole23hthione
AT doctorovichfabioariel 3methyl5methylsulfanyl134thiadiazole23hthione
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