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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...

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Autores principales: Suresh, M., Padusha, M. Syed Ali, Novina, J. Josephine, Vasuki, G., Viswanathan, Vijayan, Velmurugan, Devadasan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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