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3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione

Crystals of the title compound, C(12)H(14)N(4)S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methyl­benzaldehyde. In the mol­ecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole rings are located on oppo...

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Autores principales: Wang, Shan-Heng, Xu, Ying-Li, Xie, Pei-Jin, Wang, Wen-Long, Shan, Shang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962033/
https://www.ncbi.nlm.nih.gov/pubmed/21203120
http://dx.doi.org/10.1107/S1600536808019867
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author Wang, Shan-Heng
Xu, Ying-Li
Xie, Pei-Jin
Wang, Wen-Long
Shan, Shang
author_facet Wang, Shan-Heng
Xu, Ying-Li
Xie, Pei-Jin
Wang, Wen-Long
Shan, Shang
author_sort Wang, Shan-Heng
collection PubMed
description Crystals of the title compound, C(12)H(14)N(4)S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methyl­benzaldehyde. In the mol­ecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole rings are located on opposite sites of this double bond. The two rings are approximately parallel to each other, the dihedral angle being 1.75 (11)°. A partially overlapped arrangement is observed between the nearly parallel triazole and benzene rings of adjacent mol­ecules; the perpendicular distance of the centroid of the triazole ring from the benzene ring is 3.482 Å, indicating the existence of π–π stacking in the crystal structure.
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spelling pubmed-29620332010-12-30 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione Wang, Shan-Heng Xu, Ying-Li Xie, Pei-Jin Wang, Wen-Long Shan, Shang Acta Crystallogr Sect E Struct Rep Online Organic Papers Crystals of the title compound, C(12)H(14)N(4)S, were obtained from a condensation reaction of 4-amino-3-ethyl-1H-1,2,4-triazole-5(4H)-thione and 2-methyl­benzaldehyde. In the mol­ecular structure, there is a short N=C double bond [1.255 (2) Å], and the benzene and triazole rings are located on opposite sites of this double bond. The two rings are approximately parallel to each other, the dihedral angle being 1.75 (11)°. A partially overlapped arrangement is observed between the nearly parallel triazole and benzene rings of adjacent mol­ecules; the perpendicular distance of the centroid of the triazole ring from the benzene ring is 3.482 Å, indicating the existence of π–π stacking in the crystal structure. International Union of Crystallography 2008-07-05 /pmc/articles/PMC2962033/ /pubmed/21203120 http://dx.doi.org/10.1107/S1600536808019867 Text en © Wang et al. 2008 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, Shan-Heng
Xu, Ying-Li
Xie, Pei-Jin
Wang, Wen-Long
Shan, Shang
3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_full 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_short 3-Ethyl-4-[(E)-2-methyl­benzyl­idene­amino]-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-ethyl-4-[(e)-2-methyl­benzyl­idene­amino]-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962033/
https://www.ncbi.nlm.nih.gov/pubmed/21203120
http://dx.doi.org/10.1107/S1600536808019867
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