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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...
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/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. |
format | Online Article Text |
id | pubmed-4518970 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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