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

The asymmetric unit of the title compound, C(20)H(18)F(2)N(2)O(2)S, contains four independent mol­ecules, two of which are paired into a dimer by way of two N—H⋯S hydrogen bonds. The other two independent mol­ecules are paired into two centrosymmetric dimers via pairs of inter­molecular N—H⋯S hydrog...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Jebas, Samuel Robinson, Babu, M., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977677/
https://www.ncbi.nlm.nih.gov/pubmed/21584020
http://dx.doi.org/10.1107/S160053680901232X
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author Fun, Hoong-Kun
Jebas, Samuel Robinson
Babu, M.
Kalluraya, B.
author_facet Fun, Hoong-Kun
Jebas, Samuel Robinson
Babu, M.
Kalluraya, B.
author_sort Fun, Hoong-Kun
collection PubMed
description The asymmetric unit of the title compound, C(20)H(18)F(2)N(2)O(2)S, contains four independent mol­ecules, two of which are paired into a dimer by way of two N—H⋯S hydrogen bonds. The other two independent mol­ecules are paired into two centrosymmetric dimers via pairs of inter­molecular N—H⋯S hydrogen bonds. In one mol­ecule, the carboxyl­ate O atoms, methyl­ene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908 (3):0.092 (3) ratio. In two of the independent mol­ecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C—C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds.
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spelling pubmed-29776772010-12-30 Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Fun, Hoong-Kun Jebas, Samuel Robinson Babu, M. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(20)H(18)F(2)N(2)O(2)S, contains four independent mol­ecules, two of which are paired into a dimer by way of two N—H⋯S hydrogen bonds. The other two independent mol­ecules are paired into two centrosymmetric dimers via pairs of inter­molecular N—H⋯S hydrogen bonds. In one mol­ecule, the carboxyl­ate O atoms, methyl­ene and methyl groups attached to the benzene ring are disordered between two positions in a 0.908 (3):0.092 (3) ratio. In two of the independent mol­ecules, the F and H atoms of the diflourophenyl ring are flip-flop disordered (i.e. by 180° about the C—C bond axis linking the ring to the rest of the molecule) in a 3:2 ratio. The crystal packing is stabilized by weak inter­molecular C—H⋯O hydrogen bonds. International Union of Crystallography 2009-04-08 /pmc/articles/PMC2977677/ /pubmed/21584020 http://dx.doi.org/10.1107/S160053680901232X Text en © Fun 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
Fun, Hoong-Kun
Jebas, Samuel Robinson
Babu, M.
Kalluraya, B.
Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 4-(2,4-difluoro­phen­yl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977677/
https://www.ncbi.nlm.nih.gov/pubmed/21584020
http://dx.doi.org/10.1107/S160053680901232X
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