1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone

In the title mol­ecule, C(16)H(20)N(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the hete...

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Detalles Bibliográficos
Autores principales: Anuradha, N., Thiruvalluvar, A., Chitra, S., Devanathan, D., Falola, Oluwaseun O., Butcher, R.J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435669/
https://www.ncbi.nlm.nih.gov/pubmed/22969540
http://dx.doi.org/10.1107/S1600536812034046
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author Anuradha, N.
Thiruvalluvar, A.
Chitra, S.
Devanathan, D.
Falola, Oluwaseun O.
Butcher, R.J.
author_facet Anuradha, N.
Thiruvalluvar, A.
Chitra, S.
Devanathan, D.
Falola, Oluwaseun O.
Butcher, R.J.
author_sort Anuradha, N.
collection PubMed
description In the title mol­ecule, C(16)H(20)N(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, molecules are linked via N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds.
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spelling pubmed-34356692012-09-11 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone Anuradha, N. Thiruvalluvar, A. Chitra, S. Devanathan, D. Falola, Oluwaseun O. Butcher, R.J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(16)H(20)N(2)OS, the heterocyclic ring adopts a slightly distorted flattened boat conformation, and the plane through the four coplanar atoms makes a dihedral angle of 86.98 (6)° with the benzene ring. The thione, acetyl and methyl groups lie on the opposite side of the heterocyclic mean plane to the isopropylphenyl group which has an axial orientation. A weak intra­molecular C—H⋯O hydrogen bond is observed. In the crystal, molecules are linked via N—H⋯O, N—H⋯S and C—H⋯S hydrogen bonds. International Union of Crystallography 2012-08-04 /pmc/articles/PMC3435669/ /pubmed/22969540 http://dx.doi.org/10.1107/S1600536812034046 Text en © Anuradha 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
Anuradha, N.
Thiruvalluvar, A.
Chitra, S.
Devanathan, D.
Falola, Oluwaseun O.
Butcher, R.J.
1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title_full 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title_fullStr 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title_full_unstemmed 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title_short 1-[4-(4-Isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
title_sort 1-[4-(4-isopropyl­phen­yl)-6-methyl-2-sulfanyl­idene-1,2,3,4-tetra­hydro­pyrimidin-5-yl]ethanone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435669/
https://www.ncbi.nlm.nih.gov/pubmed/22969540
http://dx.doi.org/10.1107/S1600536812034046
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