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Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(17)H(20)N(2)O(4)S, the aryl ring is positioned perpendicular to the dihydropyrimidine ring, the dihedral angle between the ring planes being 77.48 (9)°. The carboxylate and methyl groups are in a cis conformation with respect to the C=C bond. The dihydropyrimidine ring ad...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344654/ https://www.ncbi.nlm.nih.gov/pubmed/22590416 http://dx.doi.org/10.1107/S1600536812017679 |
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author | Fathima, Nikhath Nagarajaiah, H Begum, Noor Shahina |
author_facet | Fathima, Nikhath Nagarajaiah, H Begum, Noor Shahina |
author_sort | Fathima, Nikhath |
collection | PubMed |
description | In the title compound, C(17)H(20)N(2)O(4)S, the aryl ring is positioned perpendicular to the dihydropyrimidine ring, the dihedral angle between the ring planes being 77.48 (9)°. The carboxylate and methyl groups are in a cis conformation with respect to the C=C bond. The dihydropyrimidine ring adopts a twist-boat conformation. The crystal structure is stabilized by N—H⋯O and C—H⋯O interactions, the former resulting in molecular chains along the b axis and the latter forming inversion dimers. |
format | Online Article Text |
id | pubmed-3344654 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33446542012-05-15 Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate Fathima, Nikhath Nagarajaiah, H Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(20)N(2)O(4)S, the aryl ring is positioned perpendicular to the dihydropyrimidine ring, the dihedral angle between the ring planes being 77.48 (9)°. The carboxylate and methyl groups are in a cis conformation with respect to the C=C bond. The dihydropyrimidine ring adopts a twist-boat conformation. The crystal structure is stabilized by N—H⋯O and C—H⋯O interactions, the former resulting in molecular chains along the b axis and the latter forming inversion dimers. International Union of Crystallography 2012-04-28 /pmc/articles/PMC3344654/ /pubmed/22590416 http://dx.doi.org/10.1107/S1600536812017679 Text en © Fathima 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 Fathima, Nikhath Nagarajaiah, H Begum, Noor Shahina Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title | Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full | Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_fullStr | Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full_unstemmed | Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_short | Ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_sort | ethyl 3-acetyl-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344654/ https://www.ncbi.nlm.nih.gov/pubmed/22590416 http://dx.doi.org/10.1107/S1600536812017679 |
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