Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

The title compound, C(14)H(15)FN(2)O(2)S, crystallizes with two mol­ecules in the asymmetric unit. In each mol­ecule, the pyrimidine ring adopts a sofa conformation with the sp (3)-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, mol­ecules are...

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Detalles Bibliográficos
Autores principales: Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647406/
https://www.ncbi.nlm.nih.gov/pubmed/26594430
http://dx.doi.org/10.1107/S2056989015015145
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author Krishnamurthy, M. S.
Begum, Noor Shahina
author_facet Krishnamurthy, M. S.
Begum, Noor Shahina
author_sort Krishnamurthy, M. S.
collection PubMed
description The title compound, C(14)H(15)FN(2)O(2)S, crystallizes with two mol­ecules in the asymmetric unit. In each mol­ecule, the pyrimidine ring adopts a sofa conformation with the sp (3)-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, mol­ecules are linked via N—H⋯S hydrogen bonds, forming chains of R (2) (2)(8) rings along [100]. In one independent mol­ecule, an intra­molecular C—H⋯O hydrogen bond is observed.
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spelling pubmed-46474062015-11-20 Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(14)H(15)FN(2)O(2)S, crystallizes with two mol­ecules in the asymmetric unit. In each mol­ecule, the pyrimidine ring adopts a sofa conformation with the sp (3)-hybridized C atom forming the flap and the fluoro-substituted ring in an axial position. In the crystal, mol­ecules are linked via N—H⋯S hydrogen bonds, forming chains of R (2) (2)(8) rings along [100]. In one independent mol­ecule, an intra­molecular C—H⋯O hydrogen bond is observed. International Union of Crystallography 2015-09-12 /pmc/articles/PMC4647406/ /pubmed/26594430 http://dx.doi.org/10.1107/S2056989015015145 Text en © Krishnamurthy and Begum 2015 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 Data Reports
Krishnamurthy, M. S.
Begum, Noor Shahina
Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort crystal structure of ethyl 4-(2-fluoro­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647406/
https://www.ncbi.nlm.nih.gov/pubmed/26594430
http://dx.doi.org/10.1107/S2056989015015145
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