5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione

In the title mol­ecule, C(13)H(13)ClN(2)OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92 (10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the att...

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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 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968427/
https://www.ncbi.nlm.nih.gov/pubmed/21582221
http://dx.doi.org/10.1107/S1600536809005029
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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)OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92 (10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the attached heterocyclic ring. The chloro­phenyl group has an axial orientation. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds are found in the crystal structure.
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spelling pubmed-29684272010-12-30 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione 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)OS, the heterocyclic ring adopts a flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 87.92 (10)° with the benzene ring. The thione, acetyl and methyl groups have equatorial orientations with respect to the attached heterocyclic ring. The chloro­phenyl group has an axial orientation. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds are found in the crystal structure. International Union of Crystallography 2009-02-21 /pmc/articles/PMC2968427/ /pubmed/21582221 http://dx.doi.org/10.1107/S1600536809005029 Text en © Anuradha 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
Anuradha, N.
Thiruvalluvar, A.
Pandiarajan, K.
Chitra, S.
Butcher, R. J.
5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title_full 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title_fullStr 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title_full_unstemmed 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title_short 5-Acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1H)-thione
title_sort 5-acetyl-4-(4-chloro­phen­yl)-6-methyl-3,4-dihydro­pyrimidine-2(1h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968427/
https://www.ncbi.nlm.nih.gov/pubmed/21582221
http://dx.doi.org/10.1107/S1600536809005029
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AT chitras 5acetyl44chlorophenyl6methyl34dihydropyrimidine21hthione
AT butcherrj 5acetyl44chlorophenyl6methyl34dihydropyrimidine21hthione

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