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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...

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Detalles Bibliográficos
Autores principales: Anuradha, N., Thiruvalluvar, A., Pandiarajan, K., Chitra, S., Butcher, R. J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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.
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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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