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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...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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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. |
format | Text |
id | pubmed-2962033 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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