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3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide
In the molecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecu...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968538/ https://www.ncbi.nlm.nih.gov/pubmed/21582156 http://dx.doi.org/10.1107/S1600536809003821 |
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author | Peng, Ju-Hua Hao, Wen-Juan Tu, Shu-Jiang |
author_facet | Peng, Ju-Hua Hao, Wen-Juan Tu, Shu-Jiang |
author_sort | Peng, Ju-Hua |
collection | PubMed |
description | In the molecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. A π–π contact between pyrimidine and phenyl rings [centroid–centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13). |
format | Text |
id | pubmed-2968538 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29685382010-12-30 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide Peng, Ju-Hua Hao, Wen-Juan Tu, Shu-Jiang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(21)H(20)BrN(3)O(3), the pyrimidine ring is oriented at dihedral angles of 80.87 (3) and 15.99 (3)°, respectively, to the pyrimidine and bromophenyl rings. The dihedral angle between the two benzene rings is 88.37 (3)°. In the crystal structure, intermolecular N—H⋯O and O—H⋯N hydrogen bonds link the molecules. A π–π contact between pyrimidine and phenyl rings [centroid–centroid distance = 3.776 (3) Å] may further stabilize the structure. The methine H and the methyl C and H atoms are disordered over two positions and were refined with occupancies of 0.522 (13) and 0.478 (13). International Union of Crystallography 2009-02-06 /pmc/articles/PMC2968538/ /pubmed/21582156 http://dx.doi.org/10.1107/S1600536809003821 Text en © Peng 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 Peng, Ju-Hua Hao, Wen-Juan Tu, Shu-Jiang 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title | 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title_full | 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title_fullStr | 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title_full_unstemmed | 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title_short | 3-(4-Bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[(S)-1-phenylethyl]propanamide |
title_sort | 3-(4-bromophenyl)-3-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)-n-[(s)-1-phenylethyl]propanamide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968538/ https://www.ncbi.nlm.nih.gov/pubmed/21582156 http://dx.doi.org/10.1107/S1600536809003821 |
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