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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...

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Detalles Bibliográficos
Autores principales: Peng, Ju-Hua, Hao, Wen-Juan, Tu, Shu-Jiang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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).
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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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