Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate

In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo­hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol­ecular conformation is stabilized by an intra­...

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Detalles Bibliográficos
Autores principales: Wang, Hong-Mei, Xu, Jing, Zeng, Xiao-Hua, Tian, Jia-Hua
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971811/
https://www.ncbi.nlm.nih.gov/pubmed/21578823
http://dx.doi.org/10.1107/S1600536809047230
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author Wang, Hong-Mei
Xu, Jing
Zeng, Xiao-Hua
Tian, Jia-Hua
author_facet Wang, Hong-Mei
Xu, Jing
Zeng, Xiao-Hua
Tian, Jia-Hua
author_sort Wang, Hong-Mei
collection PubMed
description In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo­hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond.
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spelling pubmed-29718112010-12-30 Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate Wang, Hong-Mei Xu, Jing Zeng, Xiao-Hua Tian, Jia-Hua Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo­hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O hydrogen bond. International Union of Crystallography 2009-11-14 /pmc/articles/PMC2971811/ /pubmed/21578823 http://dx.doi.org/10.1107/S1600536809047230 Text en © Wang et al. 2009 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, Hong-Mei
Xu, Jing
Zeng, Xiao-Hua
Tian, Jia-Hua
Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title_full Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title_fullStr Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title_full_unstemmed Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title_short Ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
title_sort ethyl 2-(3,3-dibutyl­thio­ureido)-4,5,6,7-tetra­hydro­benzo[b]thio­phene-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971811/
https://www.ncbi.nlm.nih.gov/pubmed/21578823
http://dx.doi.org/10.1107/S1600536809047230
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AT zengxiaohua ethyl233dibutylthioureido4567tetrahydrobenzobthiophene3carboxylate
AT tianjiahua ethyl233dibutylthioureido4567tetrahydrobenzobthiophene3carboxylate

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