Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

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 co...

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Bibliographic Details
Main Authors: Younos Bouzian, Md. Serajul Haque Faizi, Joel T. Mague, Bouchaib El Otmani, Necmi Dege, Khalid Karrouchi, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2019-07-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
2-oxo-1,2-dihydroquinoline
C—H...O hydrogen bonding
C—H...π interactions
supramolecular three-dimensional structure
DFT
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019007989

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http://scripts.iucr.org/cgi-bin/paper?S2056989019007989

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