3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one

In the mol­ecule of the title compound, C(11)H(15)N(5)OS(2), the thia­diazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methyl­ene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag...

Descripción completa

Detalles Bibliográficos
Autores principales: Wei, Qing-Li, He, Fu-Jin, Li, Fang, Bi, Sai
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960317/
https://www.ncbi.nlm.nih.gov/pubmed/21201440
http://dx.doi.org/10.1107/S1600536807068286
_version_ 1782188710504169472
author Wei, Qing-Li
He, Fu-Jin
Li, Fang
Bi, Sai
author_facet Wei, Qing-Li
He, Fu-Jin
Li, Fang
Bi, Sai
author_sort Wei, Qing-Li
collection PubMed
description In the mol­ecule of the title compound, C(11)H(15)N(5)OS(2), the thia­diazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methyl­ene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1)° with the thia­diazole ring.
format Text
id pubmed-2960317
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29603172010-12-30 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one Wei, Qing-Li He, Fu-Jin Li, Fang Bi, Sai Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(11)H(15)N(5)OS(2), the thia­diazole and triazole rings are not coplanar, the dihedral angle formed by their mean planes being 59.9 (2)°. The exocyclic S atom, and the methyl­ene, carbonyl, tert-butyl and one methyl carbon form an approximately planar zigzag chain, which makes a dihedral angle of 74.6 (1)° with the thia­diazole ring. International Union of Crystallography 2008-01-09 /pmc/articles/PMC2960317/ /pubmed/21201440 http://dx.doi.org/10.1107/S1600536807068286 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Wei, Qing-Li
He, Fu-Jin
Li, Fang
Bi, Sai
3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title_full 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title_fullStr 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title_full_unstemmed 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title_short 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
title_sort 3,3-dimethyl-1-[5-(1h-1,2,4-triazol-1-yl­meth­yl)-1,3,4-thia­diazol-2-ylsulfan­yl]butan-2-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960317/
https://www.ncbi.nlm.nih.gov/pubmed/21201440
http://dx.doi.org/10.1107/S1600536807068286
work_keys_str_mv AT weiqingli 33dimethyl151h124triazol1ylmethyl134thiadiazol2ylsulfanylbutan2one
AT hefujin 33dimethyl151h124triazol1ylmethyl134thiadiazol2ylsulfanylbutan2one
AT lifang 33dimethyl151h124triazol1ylmethyl134thiadiazol2ylsulfanylbutan2one
AT bisai 33dimethyl151h124triazol1ylmethyl134thiadiazol2ylsulfanylbutan2one

Ejemplares similares