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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)...
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/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). |
format | Online Article Text |
id | pubmed-4420040 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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