Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

The title compound, C(15)H(15)F(3)N(2)O(2)S, adopts a conformation with an intra­molecular C—H⋯π inter­action. The dihedral angles between the planes of the 4-(trifluoro­meth­yl)phenyl and ester groups with the plane of the six-membered tetra­hydro­pyrimidine ring are 81.8 (1) and 16.0 (1)°, respect...

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Autores principales: Nayak, Susanta K., Venugopala, K. N., Govender, Thavendran, Kruger, Hendrik G., Maguire, Glenn E. M., Row, T. N. Guru
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152077/
https://www.ncbi.nlm.nih.gov/pubmed/21836973
http://dx.doi.org/10.1107/S1600536811019441
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author Nayak, Susanta K.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Row, T. N. Guru
author_facet Nayak, Susanta K.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Row, T. N. Guru
author_sort Nayak, Susanta K.
collection PubMed
description The title compound, C(15)H(15)F(3)N(2)O(2)S, adopts a conformation with an intra­molecular C—H⋯π inter­action. The dihedral angles between the planes of the 4-(trifluoro­meth­yl)phenyl and ester groups with the plane of the six-membered tetra­hydro­pyrimidine ring are 81.8 (1) and 16.0 (1)°, respectively. In the crystal structure, inter­molecular N—H⋯S hydrogen bonds link pairs of mol­ecules into dimers and N—H⋯O inter­actions generate hydrogen-bonded mol­ecular chains along the crystallographic a axis.
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spelling pubmed-31520772011-08-11 Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Nayak, Susanta K. Venugopala, K. N. Govender, Thavendran Kruger, Hendrik G. Maguire, Glenn E. M. Row, T. N. Guru Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(15)F(3)N(2)O(2)S, adopts a conformation with an intra­molecular C—H⋯π inter­action. The dihedral angles between the planes of the 4-(trifluoro­meth­yl)phenyl and ester groups with the plane of the six-membered tetra­hydro­pyrimidine ring are 81.8 (1) and 16.0 (1)°, respectively. In the crystal structure, inter­molecular N—H⋯S hydrogen bonds link pairs of mol­ecules into dimers and N—H⋯O inter­actions generate hydrogen-bonded mol­ecular chains along the crystallographic a axis. International Union of Crystallography 2011-06-04 /pmc/articles/PMC3152077/ /pubmed/21836973 http://dx.doi.org/10.1107/S1600536811019441 Text en © Nayak et al. 2011 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
Nayak, Susanta K.
Venugopala, K. N.
Govender, Thavendran
Kruger, Hendrik G.
Maguire, Glenn E. M.
Row, T. N. Guru
Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 6-methyl-2-sulfanyl­idene-4-[4-(trifluoro­meth­yl)phen­yl]-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152077/
https://www.ncbi.nlm.nih.gov/pubmed/21836973
http://dx.doi.org/10.1107/S1600536811019441
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