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

Autores
Suarez, S.A.; Hazari, S.K.S.; Ganguly, B.; Doctorovich, F.; Roy, T.G.; Baggio, R.
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
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.
Fuente
Acta Crystallogr. Sect. E Struct. Rep. Online 2012;68(10):o3045-o3046
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/2.5/ar
Repositorio
Biblioteca Digital (UBA-FCEN)
Institución
Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
OAI Identificador
paperaa:paper_16005368_v68_n10_po3045_Suarez
Acceder
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oai_identifier_str paperaa:paper_16005368_v68_n10_po3045_Suarez
network_acronym_str BDUBAFCEN
repository_id_str 1896
network_name_str Biblioteca Digital (UBA-FCEN)
spelling 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thioneSuarez, 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.2012info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_SuarezActa Crystallogr. Sect. E Struct. Rep. Online 2012;68(10):o3045-o3046reponame:Biblioteca Digital (UBA-FCEN)instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesinstacron:UBA-FCENenginfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/2.5/ar2025-09-29T13:43:09Zpaperaa:paper_16005368_v68_n10_po3045_SuarezInstitucionalhttps://digital.bl.fcen.uba.ar/Universidad públicaNo correspondehttps://digital.bl.fcen.uba.ar/cgi-bin/oaiserver.cgiana@bl.fcen.uba.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:18962025-09-29 13:43:10.688Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturalesfalse
dc.title.none.fl_str_mv 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
title 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
spellingShingle 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione
Suarez, S.A.
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
dc.creator.none.fl_str_mv Suarez, S.A.
Hazari, S.K.S.
Ganguly, B.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author Suarez, S.A.
author_facet Suarez, S.A.
Hazari, S.K.S.
Ganguly, B.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author_role author
author2 Hazari, S.K.S.
Ganguly, B.
Doctorovich, F.
Roy, T.G.
Baggio, R.
author2_role author
author
author
author
author
dc.description.none.fl_txt_mv 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.
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.
publishDate 2012
dc.date.none.fl_str_mv 2012
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
url http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez
dc.language.none.fl_str_mv eng
language eng
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/2.5/ar
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by/2.5/ar
dc.format.none.fl_str_mv application/pdf
dc.source.none.fl_str_mv Acta Crystallogr. Sect. E Struct. Rep. Online 2012;68(10):o3045-o3046
reponame:Biblioteca Digital (UBA-FCEN)
instname:Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron:UBA-FCEN
reponame_str Biblioteca Digital (UBA-FCEN)
collection Biblioteca Digital (UBA-FCEN)
instname_str Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
instacron_str UBA-FCEN
institution UBA-FCEN
repository.name.fl_str_mv Biblioteca Digital (UBA-FCEN) - Universidad Nacional de Buenos Aires. Facultad de Ciencias Exactas y Naturales
repository.mail.fl_str_mv ana@bl.fcen.uba.ar
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score 13.070432

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