1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone

In the title compound, C(13)H(14)N(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial...

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Detalles Bibliográficos
Autores principales: Anuradha, N., Thiruvalluvar, A., Chitra, S., Pandiarajan, K., Butcher, R. J.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007977/
https://www.ncbi.nlm.nih.gov/pubmed/21588635
http://dx.doi.org/10.1107/S1600536810031296
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author Anuradha, N.
Thiruvalluvar, A.
Chitra, S.
Pandiarajan, K.
Butcher, R. J.
author_facet Anuradha, N.
Thiruvalluvar, A.
Chitra, S.
Pandiarajan, K.
Butcher, R. J.
author_sort Anuradha, N.
collection PubMed
description In the title compound, C(13)H(14)N(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. 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-30079772010-12-30 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone Anuradha, N. Thiruvalluvar, A. Chitra, S. Pandiarajan, K. Butcher, R. J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(13)H(14)N(2)OS, the heterocyclic ring adopts a flattened boat conformation with the plane through the four coplanar atoms making a dihedral angle of 86.90 (13)° with the phenyl ring, which adopts an axial orientation. The thionyl, acetyl and methyl groups all have equatorial orientations. Inter­molecular N—H⋯O, N—H⋯S and C—H⋯O hydrogen bonds are found in the crystal structure. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007977/ /pubmed/21588635 http://dx.doi.org/10.1107/S1600536810031296 Text en © Anuradha et al. 2010 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.
Chitra, S.
Pandiarajan, K.
Butcher, R. J.
1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title_full 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title_fullStr 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title_full_unstemmed 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title_short 1-(6-Methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
title_sort 1-(6-methyl-4-phenyl-2-sulfanyl­idene-1,2,3,4-tetrahydro­pyrimidin-5-yl)ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007977/
https://www.ncbi.nlm.nih.gov/pubmed/21588635
http://dx.doi.org/10.1107/S1600536810031296
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