Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

In the title compound, C(10)H(11)ClN(4)O(2)S, the triazole ring carries methyl and ethoxy­carbonyl groups and is bound via a methyl­ene bridge to a chloro­thia­zole unit. There is also evidence for significant electron delocalization in the triazolyl system. Intra- and inter­molecular C—H⋯O hydrogen...

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Detalles Bibliográficos
Autores principales: Chen, Xiao-Bao, Sun, Feng-Mei, Xu, Jing, Ma, Zuan, Zheng, Ai-Hua
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960093/
https://www.ncbi.nlm.nih.gov/pubmed/21581372
http://dx.doi.org/10.1107/S1600536808037914
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author Chen, Xiao-Bao
Sun, Feng-Mei
Xu, Jing
Ma, Zuan
Zheng, Ai-Hua
author_facet Chen, Xiao-Bao
Sun, Feng-Mei
Xu, Jing
Ma, Zuan
Zheng, Ai-Hua
author_sort Chen, Xiao-Bao
collection PubMed
description In the title compound, C(10)H(11)ClN(4)O(2)S, the triazole ring carries methyl and ethoxy­carbonyl groups and is bound via a methyl­ene bridge to a chloro­thia­zole unit. There is also evidence for significant electron delocalization in the triazolyl system. Intra- and inter­molecular C—H⋯O hydrogen bonds together with strong π–π stacking inter­actions [centroid–centroid distance 3.620 (1) Å] stabilize the structure.
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spelling pubmed-29600932010-12-30 Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate Chen, Xiao-Bao Sun, Feng-Mei Xu, Jing Ma, Zuan Zheng, Ai-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(11)ClN(4)O(2)S, the triazole ring carries methyl and ethoxy­carbonyl groups and is bound via a methyl­ene bridge to a chloro­thia­zole unit. There is also evidence for significant electron delocalization in the triazolyl system. Intra- and inter­molecular C—H⋯O hydrogen bonds together with strong π–π stacking inter­actions [centroid–centroid distance 3.620 (1) Å] stabilize the structure. International Union of Crystallography 2008-11-20 /pmc/articles/PMC2960093/ /pubmed/21581372 http://dx.doi.org/10.1107/S1600536808037914 Text en © Chen 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
Chen, Xiao-Bao
Sun, Feng-Mei
Xu, Jing
Ma, Zuan
Zheng, Ai-Hua
Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title_full Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title_fullStr Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title_full_unstemmed Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title_short Ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
title_sort ethyl 1-[(2-chloro-1,3-thia­zol-5-yl)methyl]-5-methyl-1h-1,2,3-triazole-4-carboxylate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960093/
https://www.ncbi.nlm.nih.gov/pubmed/21581372
http://dx.doi.org/10.1107/S1600536808037914
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