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Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate
In the title compound, C(21)H(21)NO(5), the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.028 Å) and the trimethoxybenzene ring is 43.38 (5)°. The C atoms of the methoxy groups deviate from their attached benzene ring by −0.396 (2), −0.049 (2) and 0.192 (2) Å for the ort...
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/PMC4518944/ https://www.ncbi.nlm.nih.gov/pubmed/26279938 http://dx.doi.org/10.1107/S2056989015011706 |
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author | Shrungesh Kumar, T. O. Naveen, S. Kumara, M. N. Mahadevan, K. M. Lokanath, N. K. |
author_facet | Shrungesh Kumar, T. O. Naveen, S. Kumara, M. N. Mahadevan, K. M. Lokanath, N. K. |
author_sort | Shrungesh Kumar, T. O. |
collection | PubMed |
description | In the title compound, C(21)H(21)NO(5), the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.028 Å) and the trimethoxybenzene ring is 43.38 (5)°. The C atoms of the methoxy groups deviate from their attached benzene ring by −0.396 (2), −0.049 (2) and 0.192 (2) Å for the ortho-, meta- and para-substituents, respectively. The pendant ethyl chain is disordered over two orientations in a 0.527 (5):0.473 (5) ratio. A short intramolecular C—H⋯O contact closes an S(6) ring. In the crystal, inversion dimers linked by pairs of weak C—H⋯O interactions generate R (2) (2)(6) loops. The dimers are linked by further C—H⋯O interactions to generate [1-10] chains. |
format | Online Article Text |
id | pubmed-4518944 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189442015-08-14 Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate Shrungesh Kumar, T. O. Naveen, S. Kumara, M. N. Mahadevan, K. M. Lokanath, N. K. Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(21)H(21)NO(5), the dihedral angle between the quinoline ring system (r.m.s. deviation = 0.028 Å) and the trimethoxybenzene ring is 43.38 (5)°. The C atoms of the methoxy groups deviate from their attached benzene ring by −0.396 (2), −0.049 (2) and 0.192 (2) Å for the ortho-, meta- and para-substituents, respectively. The pendant ethyl chain is disordered over two orientations in a 0.527 (5):0.473 (5) ratio. A short intramolecular C—H⋯O contact closes an S(6) ring. In the crystal, inversion dimers linked by pairs of weak C—H⋯O interactions generate R (2) (2)(6) loops. The dimers are linked by further C—H⋯O interactions to generate [1-10] chains. International Union of Crystallography 2015-06-27 /pmc/articles/PMC4518944/ /pubmed/26279938 http://dx.doi.org/10.1107/S2056989015011706 Text en © Shrungesh 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 Shrungesh Kumar, T. O. Naveen, S. Kumara, M. N. Mahadevan, K. M. Lokanath, N. K. Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title | Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title_full | Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title_fullStr | Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title_short | Crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
title_sort | crystal structure of ethyl 2-(2,4,5-trimethoxyphenyl)quinoline-4-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518944/ https://www.ncbi.nlm.nih.gov/pubmed/26279938 http://dx.doi.org/10.1107/S2056989015011706 |
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