Title of article
Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
Author/Authors
Bouzian, Younos Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche Des Sciences des Médicaments - Pôle de Compétence Pharmacochimie, Morocco , Haque Faizi,Md. Serajul Department of Chemistry - Langat Singh College - Babasaheb Bhimrao Ambedkar Bihar University, India , Mague, Joel T. Department of Chemistry - Tulane University, USA , Otmani, Bouchaib El Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche Des Sciences des Médicaments - Pôle de Compétence Pharmacochimie, Morocco , Dege, Necmi Ondokuz Mayıs University - Faculty of Arts and Sciences - Department of Physics, Turkey , Karrouchi, Khalid Laboratory of Plant Chemistry - Organic and Bioorganic Synthesis - URAC23, Faculty of Science, Morocco , Essassi, El Mokhtar Laboratoire de Chimie Organique Hétérocyclique - Centre de Recherche Des Sciences des Médicaments - Pôle de Compétence Pharmacochimie, Morocco
Pages
10
From page
1
To page
10
Abstract
In the title quinoline derivative, C24H19NO3, 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.
Keywords
crystal structure , 2-oxo-1,2-dihydroquinoline , C—H⋯O hydrogen bonding , C—H⋯π interactions , supramolecular three-dimensional structure , DFT
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2019
Record number
2627720
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