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
Full Text URL :
Record number :
2627720
Link To Document :
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