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5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine
The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent molecules, denoted A and B. The conformation of each molecule is mainly determined by an intramolecular N—H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidi...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379319/ https://www.ncbi.nlm.nih.gov/pubmed/22719517 http://dx.doi.org/10.1107/S1600536812021046 |
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author | Cieplik, Jerzy Stolarczyk, Marcin Bryndal, Iwona Lis, Tadeusz |
author_facet | Cieplik, Jerzy Stolarczyk, Marcin Bryndal, Iwona Lis, Tadeusz |
author_sort | Cieplik, Jerzy |
collection | PubMed |
description | The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent molecules, denoted A and B. The conformation of each molecule is mainly determined by an intramolecular N—H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in molecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in molecule B. Intermolecular N—H⋯N hydrogen bonds and π–π stacking interactions between pyrimidine rings [centroid–centroid distance = 3.692 (4) Å] connect molecules A and B into dimers and C—H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-ethoxyanilino)methyl group of the B molecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2). |
format | Online Article Text |
id | pubmed-3379319 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33793192012-06-20 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine Cieplik, Jerzy Stolarczyk, Marcin Bryndal, Iwona Lis, Tadeusz Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(26)H(25)FN(4)O, consists of two symmetry-independent molecules, denoted A and B. The conformation of each molecule is mainly determined by an intramolecular N—H⋯N hydrogen bond, which closes a six-membered ring. The dihedral angles between the pyrimidine ring and the phenyl, fluorophenyl and ethoxyphenyl rings are 15.4 (2), 28.4 (2) and 77.5 (2)°, respectively, in molecule A, and 15.9 (2), 2.7 (2) and 61.8 (2)° in molecule B. Intermolecular N—H⋯N hydrogen bonds and π–π stacking interactions between pyrimidine rings [centroid–centroid distance = 3.692 (4) Å] connect molecules A and B into dimers and C—H⋯O hydrogen bonds link the dimers into zigzag chains along [011]. The (4-ethoxyanilino)methyl group of the B molecule is disordered over two sets of sites, the occupancy factor for the major component being 0.900 (2). International Union of Crystallography 2012-05-16 /pmc/articles/PMC3379319/ /pubmed/22719517 http://dx.doi.org/10.1107/S1600536812021046 Text en © Cieplik et al. 2012 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 Cieplik, Jerzy Stolarczyk, Marcin Bryndal, Iwona Lis, Tadeusz 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title | 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title_full | 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title_fullStr | 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title_full_unstemmed | 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title_short | 5-[(4-Ethoxyanilino)methyl]-N-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
title_sort | 5-[(4-ethoxyanilino)methyl]-n-(2-fluorophenyl)-6-methyl-2-phenylpyrimidin-4-amine |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379319/ https://www.ncbi.nlm.nih.gov/pubmed/22719517 http://dx.doi.org/10.1107/S1600536812021046 |
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