Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate

In the title compound, C(20)H(17)ClN(2)O(2)S, the dihedral angle between the planes of the benzo­thia­zole fused ring system (r.m.s. deviation = 0.024 Å) and the chloro­benzene ring is 89.62 (12)°. The ester C—O—C—C side chain has an anti orientation [torsion angle = −155.2 (3)°]. In the crystal, we...

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Autores principales: Kumar, Balbir, Kour, Manmeet, Paul, Satya, Kant, Rajni, Gupta, Vivek K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555405/
https://www.ncbi.nlm.nih.gov/pubmed/26396895
http://dx.doi.org/10.1107/S2056989015014905
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author Kumar, Balbir
Kour, Manmeet
Paul, Satya
Kant, Rajni
Gupta, Vivek K.
author_facet Kumar, Balbir
Kour, Manmeet
Paul, Satya
Kant, Rajni
Gupta, Vivek K.
author_sort Kumar, Balbir
collection PubMed
description In the title compound, C(20)H(17)ClN(2)O(2)S, the dihedral angle between the planes of the benzo­thia­zole fused ring system (r.m.s. deviation = 0.024 Å) and the chloro­benzene ring is 89.62 (12)°. The ester C—O—C—C side chain has an anti orientation [torsion angle = −155.2 (3)°]. In the crystal, weak aromatic π–π stacking inter­actions are observed between the phenyl and pyrimidine rings [centroid–centroid seperation = 3.666 (2) Å].
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spelling pubmed-45554052015-09-22 Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate Kumar, Balbir Kour, Manmeet Paul, Satya Kant, Rajni Gupta, Vivek K. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(20)H(17)ClN(2)O(2)S, the dihedral angle between the planes of the benzo­thia­zole fused ring system (r.m.s. deviation = 0.024 Å) and the chloro­benzene ring is 89.62 (12)°. The ester C—O—C—C side chain has an anti orientation [torsion angle = −155.2 (3)°]. In the crystal, weak aromatic π–π stacking inter­actions are observed between the phenyl and pyrimidine rings [centroid–centroid seperation = 3.666 (2) Å]. International Union of Crystallography 2015-08-22 /pmc/articles/PMC4555405/ /pubmed/26396895 http://dx.doi.org/10.1107/S2056989015014905 Text en © Kumar 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
Kumar, Balbir
Kour, Manmeet
Paul, Satya
Kant, Rajni
Gupta, Vivek K.
Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title_full Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title_fullStr Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title_short Crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4H-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
title_sort crystal structure of ethyl 4-(2-chloro­phen­yl)-2-methyl-4h-pyrimido[2,1-b][1,3]benzo­thia­zole-3-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4555405/
https://www.ncbi.nlm.nih.gov/pubmed/26396895
http://dx.doi.org/10.1107/S2056989015014905
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