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Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367 (2) and 0.107 (2) Å, respectively, from the plane forme...
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/PMC3470232/ https://www.ncbi.nlm.nih.gov/pubmed/23125676 http://dx.doi.org/10.1107/S1600536812037828 |
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author | Nagarajaiah, H. Begum, Noor Shahina |
author_facet | Nagarajaiah, H. Begum, Noor Shahina |
author_sort | Nagarajaiah, H. |
collection | PubMed |
description | In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367 (2) and 0.107 (2) Å, respectively, from the plane formed by the remaining ring atoms. The benzene ring is positioned axially to the pyrimidine ring, making a dihedral angle of 88.99 (5)°. The thiazole ring is essentially planar (r.m.s. deviation = 0.0033 Å). In the crystal, pairs of C—H⋯O interactions result in centrosymmetric dimers with graph-set motifs R (1) (2)(7) and R (2) (2)(8). A weak C—H⋯π contact is also observed. |
format | Online Article Text |
id | pubmed-3470232 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-34702322012-11-02 Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate Nagarajaiah, H. Begum, Noor Shahina Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(22)N(2)O(4)S, the central pyrimidine ring incorporating a chiral C atom is significantly puckered and adopts a slight boat conformation with C atom bearing the phenyl ring and the N atom opposite displaced by 0.367 (2) and 0.107 (2) Å, respectively, from the plane formed by the remaining ring atoms. The benzene ring is positioned axially to the pyrimidine ring, making a dihedral angle of 88.99 (5)°. The thiazole ring is essentially planar (r.m.s. deviation = 0.0033 Å). In the crystal, pairs of C—H⋯O interactions result in centrosymmetric dimers with graph-set motifs R (1) (2)(7) and R (2) (2)(8). A weak C—H⋯π contact is also observed. International Union of Crystallography 2012-09-08 /pmc/articles/PMC3470232/ /pubmed/23125676 http://dx.doi.org/10.1107/S1600536812037828 Text en © Nagarajaiah and Begum 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 Nagarajaiah, H. Begum, Noor Shahina Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title | Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title_full | Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title_fullStr | Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title_full_unstemmed | Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title_short | Ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate |
title_sort | ethyl 3-ethoxycarbonylmethyl-7-methyl-5-phenyl-5h-thiazolo[3,2-a]pyrimidine-6-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3470232/ https://www.ncbi.nlm.nih.gov/pubmed/23125676 http://dx.doi.org/10.1107/S1600536812037828 |
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