5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine

The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol­ecules, in which the thia­diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra­molecular C—H⋯S inter­action results in the formation of a five-membered...

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Detalles Bibliográficos
Autores principales: Wang, Yao, Kong, Xiang-Jun, Wan, Rong, Han, Feng, Wang, Peng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977661/
https://www.ncbi.nlm.nih.gov/pubmed/21584004
http://dx.doi.org/10.1107/S1600536809011234
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author Wang, Yao
Kong, Xiang-Jun
Wan, Rong
Han, Feng
Wang, Peng
author_facet Wang, Yao
Kong, Xiang-Jun
Wan, Rong
Han, Feng
Wang, Peng
author_sort Wang, Yao
collection PubMed
description The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol­ecules, in which the thia­diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra­molecular C—H⋯S inter­action results in the formation of a five-membered ring. In the crystal structure, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into chains along the a axis. A π–π contact between the thia­diazole rings [centroid–centroid distance = 3.910 (3) Å] may further stabilize the structure. There is also a weak C—H⋯π inter­action.
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spelling pubmed-29776612010-12-30 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine Wang, Yao Kong, Xiang-Jun Wan, Rong Han, Feng Wang, Peng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(9)H(9)N(3)S, contains two crystallographically independent mol­ecules, in which the thia­diazole and tolyl rings are oriented at dihedral angles of 32.25 (3) and 74.50 (3)°. An intra­molecular C—H⋯S inter­action results in the formation of a five-membered ring. In the crystal structure, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into chains along the a axis. A π–π contact between the thia­diazole rings [centroid–centroid distance = 3.910 (3) Å] may further stabilize the structure. There is also a weak C—H⋯π inter­action. International Union of Crystallography 2009-04-02 /pmc/articles/PMC2977661/ /pubmed/21584004 http://dx.doi.org/10.1107/S1600536809011234 Text en © Wang et al. 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Wang, Yao
Kong, Xiang-Jun
Wan, Rong
Han, Feng
Wang, Peng
5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title_full 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title_fullStr 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title_full_unstemmed 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title_short 5-(2-Methyl­phen­yl)-1,3,4-thia­diazol-2-amine
title_sort 5-(2-methyl­phen­yl)-1,3,4-thia­diazol-2-amine
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977661/
https://www.ncbi.nlm.nih.gov/pubmed/21584004
http://dx.doi.org/10.1107/S1600536809011234
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AT wanrong 52methylphenyl134thiadiazol2amine
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AT wangpeng 52methylphenyl134thiadiazol2amine

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