3-Ethyl-1H-1,2,4-triazole-5(4H)-thione

The mol­ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol­ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol­ecules are linked by N—H⋯N and N—H⋯S hydrogen bonds into...

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Detalles Bibliográficos
Autores principales: Jing, Bi, Du, Yuao-Chao, Zhu, Ai-Xin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379377/
https://www.ncbi.nlm.nih.gov/pubmed/22719575
http://dx.doi.org/10.1107/S1600536812021927
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author Jing, Bi
Du, Yuao-Chao
Zhu, Ai-Xin
author_facet Jing, Bi
Du, Yuao-Chao
Zhu, Ai-Xin
author_sort Jing, Bi
collection PubMed
description The mol­ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol­ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol­ecules are linked by N—H⋯N and N—H⋯S hydrogen bonds into chains running along the a axis. π–π stacking inter­actions between the triazole rings [centroid–centroid distance = 3.740 (1) Å and inter­planar distance = 3.376 Å] may further stabilize the structure.
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spelling pubmed-33793772012-06-20 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione Jing, Bi Du, Yuao-Chao Zhu, Ai-Xin Acta Crystallogr Sect E Struct Rep Online Organic Papers The mol­ecule of the title compound, C(4)H(7)N(3)S, exists as the thione tautomer in the solid state. The asymmetric unit consits of one mol­ecule in which all atoms are located on a crystallographic mirror plane. In the crystal, adjacent mol­ecules are linked by N—H⋯N and N—H⋯S hydrogen bonds into chains running along the a axis. π–π stacking inter­actions between the triazole rings [centroid–centroid distance = 3.740 (1) Å and inter­planar distance = 3.376 Å] may further stabilize the structure. International Union of Crystallography 2012-05-19 /pmc/articles/PMC3379377/ /pubmed/22719575 http://dx.doi.org/10.1107/S1600536812021927 Text en © Jing et al. 2012 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
Jing, Bi
Du, Yuao-Chao
Zhu, Ai-Xin
3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title_full 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title_short 3-Ethyl-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-ethyl-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379377/
https://www.ncbi.nlm.nih.gov/pubmed/22719575
http://dx.doi.org/10.1107/S1600536812021927
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AT duyuaochao 3ethyl1h124triazole54hthione
AT zhuaixin 3ethyl1h124triazole54hthione

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