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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...

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Detalles Bibliográficos
Autores principales: Nagarajaiah, H., Begum, Noor Shahina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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.
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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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