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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—...

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Autores principales: Bouzian, Younos, Faizi, Md. Serajul Haque, Mague, Joel T., Otmani, Bouchaib El, Dege, Necmi, Karrouchi, Khalid, Essassi, El Mokhtar
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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