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Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(12)H(14)N(2)O(2)S(2), the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five nea...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384618/ https://www.ncbi.nlm.nih.gov/pubmed/25878882 http://dx.doi.org/10.1107/S2056989014027741 |
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author | Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan |
author_facet | Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan |
author_sort | Suresh, M. |
collection | PubMed |
description | In the title compound, C(12)H(14)N(2)O(2)S(2), the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, molecules are linked into a supramolecular chain along [100] via N—H⋯O(carbonyl) hydrogen bonds. Inversion-related chains are linked into double chains via N—H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features methyl–thienyl C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-4384618 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43846182015-04-15 Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(12)H(14)N(2)O(2)S(2), the dihydropyrimidine ring adopts a sofa conformation, with the C atom bearing the thienyl ring lying above the plane of the five remaining approximately coplanar (r.m.s. deviation = 0.0405 Å) atoms of the ring. The dihedral angle between the five near coplanar atoms of the ring and the thienyl ring is 89.78 (11)°. In the crystal, molecules are linked into a supramolecular chain along [100] via N—H⋯O(carbonyl) hydrogen bonds. Inversion-related chains are linked into double chains via N—H⋯S(thione) hydrogen bonds. The three-dimensional architecture also features methyl–thienyl C—H⋯π interactions. International Union of Crystallography 2015-01-03 /pmc/articles/PMC4384618/ /pubmed/25878882 http://dx.doi.org/10.1107/S2056989014027741 Text en © Suresh et al. 2015 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 | Data Reports Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title | Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full | Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_fullStr | Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_short | Crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_sort | crystal structure of ethyl 6-methyl-2-sulfanylidene-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384618/ https://www.ncbi.nlm.nih.gov/pubmed/25878882 http://dx.doi.org/10.1107/S2056989014027741 |
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