Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

In the title compound, C(14)H(15)ClN(2)O(2)S, the tetra­hydro­pyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetra­hydro­pyrimidine ring. The mol­ecular conformation is determined by an int...

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Autores principales: Nayak, Susanta K., Venugopala, K. N., Chopra, Deepak, Govender, Thavendran, Kruger, Hendrik G., Maguire, Glenn E. M., Guru Row, T. N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970428/
https://www.ncbi.nlm.nih.gov/pubmed/21577965
http://dx.doi.org/10.1107/S1600536809037453
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author Nayak, Susanta K.
Venugopala, K. N.
Chopra, Deepak
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
author_facet Nayak, Susanta K.
Venugopala, K. N.
Chopra, Deepak
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
author_sort Nayak, Susanta K.
collection PubMed
description In the title compound, C(14)H(15)ClN(2)O(2)S, the tetra­hydro­pyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetra­hydro­pyrimidine ring. The mol­ecular conformation is determined by an intra­molecular C—H⋯π inter­action. The crystal structure is further stabilized by inter­molecular N—H⋯O mol­ecular chains and centrosymmetric N—H⋯S dimers.
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spelling pubmed-29704282010-12-30 Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Nayak, Susanta K. Venugopala, K. N. Chopra, Deepak Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Guru Row, T. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(15)ClN(2)O(2)S, the tetra­hydro­pyrimidine ring adopts a twisted boat conformation with the carbonyl group in an s-trans conformation with respect to the C=C double bond of the six-membered tetra­hydro­pyrimidine ring. The mol­ecular conformation is determined by an intra­molecular C—H⋯π inter­action. The crystal structure is further stabilized by inter­molecular N—H⋯O mol­ecular chains and centrosymmetric N—H⋯S dimers. International Union of Crystallography 2009-09-26 /pmc/articles/PMC2970428/ /pubmed/21577965 http://dx.doi.org/10.1107/S1600536809037453 Text en © Nayak 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
Nayak, Susanta K.
Venugopala, K. N.
Chopra, Deepak
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Guru Row, T. N.
Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 4-(4-chloro­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2970428/
https://www.ncbi.nlm.nih.gov/pubmed/21577965
http://dx.doi.org/10.1107/S1600536809037453
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