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

The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol­ecules corresponding to the R and S enanti­omers. The dihydro­pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.7...

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Detalles Bibliográficos
Autores principales: Wu, De-Hong, Zhang, You-Hong, Li, Zhu-Feng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977496/
https://www.ncbi.nlm.nih.gov/pubmed/21583448
http://dx.doi.org/10.1107/S1600536809024520
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author Wu, De-Hong
Zhang, You-Hong
Li, Zhu-Feng
author_facet Wu, De-Hong
Zhang, You-Hong
Li, Zhu-Feng
author_sort Wu, De-Hong
collection PubMed
description The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol­ecules corresponding to the R and S enanti­omers. The dihydro­pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen-bonding inter­actions into one-dimensional chains along the c-axis direction. The chains are further connected by N—H⋯S hydrogen bonds, forming a three-dimensional network.
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spelling pubmed-29774962010-12-30 Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Wu, De-Hong Zhang, You-Hong Li, Zhu-Feng Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(15)H(15)N(3)O(2)S, contains two independent mol­ecules corresponding to the R and S enanti­omers. The dihydro­pyrimidinone rings adopt a flattened boat conformation. One of the ethyl groups is disordered over two orientations with occupancy factors of 0.700 (7) and 0.300 (7). In the crystal structure, mol­ecules are linked by inter­molecular N—H⋯O hydrogen-bonding inter­actions into one-dimensional chains along the c-axis direction. The chains are further connected by N—H⋯S hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2009-07-01 /pmc/articles/PMC2977496/ /pubmed/21583448 http://dx.doi.org/10.1107/S1600536809024520 Text en © Wu 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
Wu, De-Hong
Zhang, You-Hong
Li, Zhu-Feng
Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 4-(4-cyano­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977496/
https://www.ncbi.nlm.nih.gov/pubmed/21583448
http://dx.doi.org/10.1107/S1600536809024520
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