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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...

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Autores principales: Shrungesh Kumar, T. O., Naveen, S., Kumara, M. N., Mahadevan, K. M., Lokanath, N. 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/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.
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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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