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Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title molecule, C(20)H(18)BrFN(2)O(2)S, the pyrimidine ring adopts a flattened envelope conformation. The halogenated benzene ring is orthogonal to the planar part of the pyrimidine ring [dihedral angle = 89.05 (4)°], while the other phenyl ring is oriented at an angle of 85.14 (5)°. The eth...
Autores principales: | , , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962151/ https://www.ncbi.nlm.nih.gov/pubmed/21203233 http://dx.doi.org/10.1107/S1600536808021685 |
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author | Fun, Hoong-Kun Jebas, Samuel Robinson Babu, M. Patil, P. S. Kalluraya, B. Dharmaprakash, S. M. |
author_facet | Fun, Hoong-Kun Jebas, Samuel Robinson Babu, M. Patil, P. S. Kalluraya, B. Dharmaprakash, S. M. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title molecule, C(20)H(18)BrFN(2)O(2)S, the pyrimidine ring adopts a flattened envelope conformation. The halogenated benzene ring is orthogonal to the planar part of the pyrimidine ring [dihedral angle = 89.05 (4)°], while the other phenyl ring is oriented at an angle of 85.14 (5)°. The ethoxy group is disordered over two orientations with site occpancies of ca 0.869 (4) and 0.131 (4). Intramolecular C—H⋯Br and C—H⋯O hydrogen bonds generate S(5) and S(6) ring motifs. The crystal structure is stabilized by intermolecular N—H⋯S, C—H⋯F, C—H⋯O and C—H⋯Br hydrogen bonds. |
format | Text |
id | pubmed-2962151 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29621512010-12-30 Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Fun, Hoong-Kun Jebas, Samuel Robinson Babu, M. Patil, P. S. Kalluraya, B. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(20)H(18)BrFN(2)O(2)S, the pyrimidine ring adopts a flattened envelope conformation. The halogenated benzene ring is orthogonal to the planar part of the pyrimidine ring [dihedral angle = 89.05 (4)°], while the other phenyl ring is oriented at an angle of 85.14 (5)°. The ethoxy group is disordered over two orientations with site occpancies of ca 0.869 (4) and 0.131 (4). Intramolecular C—H⋯Br and C—H⋯O hydrogen bonds generate S(5) and S(6) ring motifs. The crystal structure is stabilized by intermolecular N—H⋯S, C—H⋯F, C—H⋯O and C—H⋯Br hydrogen bonds. International Union of Crystallography 2008-07-19 /pmc/articles/PMC2962151/ /pubmed/21203233 http://dx.doi.org/10.1107/S1600536808021685 Text en © Fun et al. 2008 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. Patil, P. S. Kalluraya, B. Dharmaprakash, S. M. Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title | Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full | Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_fullStr | Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full_unstemmed | Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_short | Ethyl 4-(2-bromo-5-fluorophenyl)-6-methyl-1-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_sort | ethyl 4-(2-bromo-5-fluorophenyl)-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/PMC2962151/ https://www.ncbi.nlm.nih.gov/pubmed/21203233 http://dx.doi.org/10.1107/S1600536808021685 |
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