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Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
In the molecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intramolecular C—H⋯O interactions result in the formation of five- and six-membered rings hav...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969813/ https://www.ncbi.nlm.nih.gov/pubmed/21583230 http://dx.doi.org/10.1107/S1600536809018625 |
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author | Bazgir, Ayoob |
author_facet | Bazgir, Ayoob |
author_sort | Bazgir, Ayoob |
collection | PubMed |
description | In the molecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intramolecular C—H⋯O interactions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, intermolecular C—H⋯O interactions link the molecules into centrosymmetric dimers forming R (2) (2)(12) ring motifs. π–π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C—H⋯π interactions are also found. |
format | Text |
id | pubmed-2969813 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29698132010-12-30 Ethyl 2-methyl-4-phenylquinoline-3-carboxylate Bazgir, Ayoob Acta Crystallogr Sect E Struct Rep Online Organic Papers In the molecule of the title compound, C(19)H(17)NO(2), the quinoline ring system is planar [maximum deviation 0.021 (3) Å] and oriented with respect to the phenyl ring at a dihedral angle of 80.44 (4)°. Intramolecular C—H⋯O interactions result in the formation of five- and six-membered rings having planar and envelope conformations, respectively. In the crystal structure, intermolecular C—H⋯O interactions link the molecules into centrosymmetric dimers forming R (2) (2)(12) ring motifs. π–π contacts between the rings of the quinoline system [centroid-to-centroid distance = 3.812 (1) Å] may further stabilize the structure. Two weak C—H⋯π interactions are also found. International Union of Crystallography 2009-05-23 /pmc/articles/PMC2969813/ /pubmed/21583230 http://dx.doi.org/10.1107/S1600536809018625 Text en © Ayoob Bazgir 2009 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 | Organic Papers Bazgir, Ayoob Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title | Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title_full | Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title_fullStr | Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title_full_unstemmed | Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title_short | Ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
title_sort | ethyl 2-methyl-4-phenylquinoline-3-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969813/ https://www.ncbi.nlm.nih.gov/pubmed/21583230 http://dx.doi.org/10.1107/S1600536809018625 |
work_keys_str_mv | AT bazgirayoob ethyl2methyl4phenylquinoline3carboxylate |