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Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate

In the title compound, C(17)H(18)N(2)O(3)S(2), the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio­phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio­phene ring lies almost normal to the pyrimidine ring, making a dihedral ang...

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Detalles Bibliográficos
Autores principales: Prasad, N. L., Krishnamurthy, M. S., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518970/
https://www.ncbi.nlm.nih.gov/pubmed/26279917
http://dx.doi.org/10.1107/S2056989015010981
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author Prasad, N. L.
Krishnamurthy, M. S.
Begum, Noor Shahina
author_facet Prasad, N. L.
Krishnamurthy, M. S.
Begum, Noor Shahina
author_sort Prasad, N. L.
collection PubMed
description In the title compound, C(17)H(18)N(2)O(3)S(2), the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio­phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio­phene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H⋯O hydrogen bonds link the mol­ecules related by twofold rotation axes, forming R (2) (2)(18) rings, which are in turn linked by another C—H⋯O inter­action, forming chains of rings along [010]. In addition, weak C—H⋯π(thio­phene) inter­actions link the chains into layers parallel to [001] and π–π inter­actions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network.
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spelling pubmed-45189702015-08-14 Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate Prasad, N. L. Krishnamurthy, M. S. Begum, Noor Shahina Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(17)H(18)N(2)O(3)S(2), the pyrimidine ring adopts a shallow sofa conformation, with the C atom bearing the axially-oriented thio­phene ring as the flap [deviation = 0.439 (3) Å]. The plane of the thio­phene ring lies almost normal to the pyrimidine ring, making a dihedral angle of 79.36 (19)°. In the crystal, pairs of very weak C—H⋯O hydrogen bonds link the mol­ecules related by twofold rotation axes, forming R (2) (2)(18) rings, which are in turn linked by another C—H⋯O inter­action, forming chains of rings along [010]. In addition, weak C—H⋯π(thio­phene) inter­actions link the chains into layers parallel to [001] and π–π inter­actions with a centroid–centroid distance of 3.772 (10) Å connect these layers into a three-dimensional network. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518970/ /pubmed/26279917 http://dx.doi.org/10.1107/S2056989015010981 Text en © Prasad 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
Prasad, N. L.
Krishnamurthy, M. S.
Begum, Noor Shahina
Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_full Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_fullStr Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_short Crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5H-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
title_sort crystal structure of ethyl 2-acetyl-3,7-dimethyl-5-(thio­phen-2-yl)-5h-thia­zolo[3,2-a]pyrimidine-6-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518970/
https://www.ncbi.nlm.nih.gov/pubmed/26279917
http://dx.doi.org/10.1107/S2056989015010981
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