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

Mostrar todas las versiones(3)

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...

Descripción completa

Guardado en:

Detalles Bibliográficos
Autores principales:	Suarez, S.A., Hazari, S.K.S., Ganguly, B., Doctorovich, F., Roy, T.G., Baggio, R.
Formato:	Artículo publishedVersion
Publicado:	2012
Acceso en línea:	http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_16005368_v68_n10_po3045_Suarez_oai
Aporte de:	Repositorio Digital de la Universidad de Buenos Aires (UBA) de Universidad de Buenos Aires

id	I28-R145-paper_16005368_v68_n10_po3045_Suarez_oai
record_format	dspace
spelling	I28-R145-paper_16005368_v68_n10_po3045_Suarez_oai2020-10-19 Suarez, S.A. Hazari, S.K.S. Ganguly, B. Doctorovich, F. Roy, T.G. Baggio, R. 2012 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. application/pdf http://hdl.handle.net/20.500.12110/paper_16005368_v68_n10_po3045_Suarez info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar Acta Crystallogr. Sect. E Struct. Rep. Online 2012;68(10):o3045-o3046 3-Methyl-5-methylsulfanyl-1,3,4-thiadiazole-2(3H)-thione info:eu-repo/semantics/article info:ar-repo/semantics/artículo info:eu-repo/semantics/publishedVersion http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_16005368_v68_n10_po3045_Suarez_oai
institution	Universidad de Buenos Aires
institution_str	I-28
repository_str	R-145
collection	Repositorio Digital de la Universidad de Buenos Aires (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.
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 http://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_16005368_v68_n10_po3045_Suarez_oai
work_keys_str_mv	AT suarezsa 3methyl5methylsulfanyl134thiadiazole23hthione AT hazarisks 3methyl5methylsulfanyl134thiadiazole23hthione AT gangulyb 3methyl5methylsulfanyl134thiadiazole23hthione AT doctorovichf 3methyl5methylsulfanyl134thiadiazole23hthione AT roytg 3methyl5methylsulfanyl134thiadiazole23hthione AT baggior 3methyl5methylsulfanyl134thiadiazole23hthione
_version_	1766026787596271616

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

Ejemplares similares