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3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione

The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol­ecules. The thio­phene ring of one mol­ecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One mol­ecule is almost planar and the other one...

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Autores principales: Asad, Mohammad, Oo, Chuan-Wei, Osman, Hasnah, Yeap, Chin Sing, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009062/
https://www.ncbi.nlm.nih.gov/pubmed/21589044
http://dx.doi.org/10.1107/S1600536810041152
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author Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Yeap, Chin Sing
Fun, Hoong-Kun
author_facet Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Yeap, Chin Sing
Fun, Hoong-Kun
author_sort Asad, Mohammad
collection PubMed
description The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol­ecules. The thio­phene ring of one mol­ecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One mol­ecule is almost planar and the other one is twisted, the dihedral angles between the thio­phene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intra­molecular C—H⋯S hydrogen bond stabilizes the mol­ecular conformation of the planar molecule. In the crystal, the two mol­ecules are inter­connected by N—H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C—H⋯N hydrogen bonds. Weak C–H⋯π and π–π inter­actions [centroid–centroid distance = 3.5149 (7) Å] are also observed.
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spelling pubmed-30090622010-12-30 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent mol­ecules. The thio­phene ring of one mol­ecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One mol­ecule is almost planar and the other one is twisted, the dihedral angles between the thio­phene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intra­molecular C—H⋯S hydrogen bond stabilizes the mol­ecular conformation of the planar molecule. In the crystal, the two mol­ecules are inter­connected by N—H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C—H⋯N hydrogen bonds. Weak C–H⋯π and π–π inter­actions [centroid–centroid distance = 3.5149 (7) Å] are also observed. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009062/ /pubmed/21589044 http://dx.doi.org/10.1107/S1600536810041152 Text en © Asad et al. 2010 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
Asad, Mohammad
Oo, Chuan-Wei
Osman, Hasnah
Yeap, Chin Sing
Fun, Hoong-Kun
3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_full 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_short 3-Methyl-4-[(E)-3-thien­ylmethyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-methyl-4-[(e)-3-thien­ylmethyl­idene­amino]-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009062/
https://www.ncbi.nlm.nih.gov/pubmed/21589044
http://dx.doi.org/10.1107/S1600536810041152
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