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Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate

In the title compound, C(20)H(16)Cl(2)N(2)O(2)S, the pyrimidine ring has a screw-boat conformation. The attached di­chloro­phenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzo­thia­zole group is approximately planar (r.m.s. deviation = 0.008 Å)...

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Detalles Bibliográficos
Autores principales: Sankar, T., Naveen, S., Lokanath, N. K., Gunasekaran, K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420040/
https://www.ncbi.nlm.nih.gov/pubmed/25995918
http://dx.doi.org/10.1107/S2056989015007033
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author Sankar, T.
Naveen, S.
Lokanath, N. K.
Gunasekaran, K.
author_facet Sankar, T.
Naveen, S.
Lokanath, N. K.
Gunasekaran, K.
author_sort Sankar, T.
collection PubMed
description In the title compound, C(20)H(16)Cl(2)N(2)O(2)S, the pyrimidine ring has a screw-boat conformation. The attached di­chloro­phenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzo­thia­zole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxyl­ate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C—O—C torsion angle of 3.2 (4) °. In the crystal, mol­ecules are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming slabs lying parallel to (100).
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spelling pubmed-44200402015-05-20 Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate Sankar, T. Naveen, S. Lokanath, N. K. Gunasekaran, K. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(20)H(16)Cl(2)N(2)O(2)S, the pyrimidine ring has a screw-boat conformation. The attached di­chloro­phenyl ring is twisted at an angle of 89.29 (13)° with respect to the pyrimidine ring mean plane. The benzo­thia­zole group is approximately planar (r.m.s. deviation = 0.008 Å) and inclined to the pyrimidine ring mean plane by 3.04 (10)°. The carboxyl­ate group assumes an extended conformation with respect to the pyrimidine ring, which can be seen from the O=C—O—C torsion angle of 3.2 (4) °. In the crystal, mol­ecules are linked via C—H⋯O and C—H⋯N hydrogen bonds, forming slabs lying parallel to (100). International Union of Crystallography 2015-04-15 /pmc/articles/PMC4420040/ /pubmed/25995918 http://dx.doi.org/10.1107/S2056989015007033 Text en © Sankar 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
Sankar, T.
Naveen, S.
Lokanath, N. K.
Gunasekaran, K.
Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title_full Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title_fullStr Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title_short Crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4H-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
title_sort crystal structure of ethyl 4-(2,4-di­chloro­phen­yl)-2-methyl-4h-benzo[4,5]thia­zolo[3,2-a]pyrimidine-3-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4420040/
https://www.ncbi.nlm.nih.gov/pubmed/25995918
http://dx.doi.org/10.1107/S2056989015007033
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