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5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one
In the title molecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an...
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/PMC2960013/ https://www.ncbi.nlm.nih.gov/pubmed/21581440 http://dx.doi.org/10.1107/S1600536808039366 |
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author | Anuradha, N. Thiruvalluvar, A. Pandiarajan, K. Chitra, S. Butcher, R. J. |
author_facet | Anuradha, N. Thiruvalluvar, A. Pandiarajan, K. Chitra, S. Butcher, R. J. |
author_sort | Anuradha, N. |
collection | PubMed |
description | In the title molecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, intermolecular N—H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation. |
format | Text |
id | pubmed-2960013 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29600132010-12-30 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one Anuradha, N. Thiruvalluvar, A. Pandiarajan, K. Chitra, S. Butcher, R. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecule, C(13)H(13)ClN(2)O(2), the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 89.16 (5)° with the benzene ring, which adopts an axial orientation. The carbonyl, acetyl and methyl groups each have an equatorial orientation. In the crystal structure, intermolecular N—H⋯O hydrogen bonds lead to a tape motif. The H atoms of the methyl group at position 6 are disordered over two positions of opposite orientation. International Union of Crystallography 2008-11-29 /pmc/articles/PMC2960013/ /pubmed/21581440 http://dx.doi.org/10.1107/S1600536808039366 Text en © Anuradha 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 Anuradha, N. Thiruvalluvar, A. Pandiarajan, K. Chitra, S. Butcher, R. J. 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title_full | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title_fullStr | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title_full_unstemmed | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title_short | 5-Acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1H)-one |
title_sort | 5-acetyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-2(1h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960013/ https://www.ncbi.nlm.nih.gov/pubmed/21581440 http://dx.doi.org/10.1107/S1600536808039366 |
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