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Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
In the title quinoline derivative, C(24)H(19)NO(3), the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C—...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659339/ https://www.ncbi.nlm.nih.gov/pubmed/31392008 http://dx.doi.org/10.1107/S2056989019007989 |
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author | Bouzian, Younos Faizi, Md. Serajul Haque Mague, Joel T. Otmani, Bouchaib El Dege, Necmi Karrouchi, Khalid Essassi, El Mokhtar |
author_facet | Bouzian, Younos Faizi, Md. Serajul Haque Mague, Joel T. Otmani, Bouchaib El Dege, Necmi Karrouchi, Khalid Essassi, El Mokhtar |
author_sort | Bouzian, Younos |
collection | PubMed |
description | In the title quinoline derivative, C(24)H(19)NO(3), the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C—H⋯O contact forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H,H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a supramolecular three-dimensional structure. |
format | Online Article Text |
id | pubmed-6659339 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-66593392019-08-07 Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate Bouzian, Younos Faizi, Md. Serajul Haque Mague, Joel T. Otmani, Bouchaib El Dege, Necmi Karrouchi, Khalid Essassi, El Mokhtar Acta Crystallogr E Crystallogr Commun Research Communications In the title quinoline derivative, C(24)H(19)NO(3), the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C—H⋯O contact forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C—H,H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C—H⋯π interactions, forming a supramolecular three-dimensional structure. International Union of Crystallography 2019-06-11 /pmc/articles/PMC6659339/ /pubmed/31392008 http://dx.doi.org/10.1107/S2056989019007989 Text en © Bouzian et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Bouzian, Younos Faizi, Md. Serajul Haque Mague, Joel T. Otmani, Bouchaib El Dege, Necmi Karrouchi, Khalid Essassi, El Mokhtar Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title | Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title_full | Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title_fullStr | Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title_full_unstemmed | Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title_short | Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
title_sort | crystal structure and dft study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6659339/ https://www.ncbi.nlm.nih.gov/pubmed/31392008 http://dx.doi.org/10.1107/S2056989019007989 |
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