Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate

Crystal structure, Hirshfeld surface analysis and density functional theory study of benzyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate

The title molecule, C20H15NO3, adopts a Z-shaped conformation with the carboxyl group nearly coplanar with the dihydroquinoline unit. In the crystal, corrugated layers are formed by C—H...O hydrogen bonds and are stacked by C—H...π(ring) interactions. Hirshfeld surface analysis indicates that the mo...

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Bibliographic Details
Main Authors: Younos Bouzian, Karim Chkirate, Joel T. Mague, Fares Hezam Al-Ostoot, Noureddine Hammou Ahabchane, El Mokhtar Essassi
Format: Article
Language:English
Published: International Union of Crystallography 2021-08-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
alkyne
dihydroquinoline
hydrogen bond
hirshfeld surface analysis
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021007416

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http://scripts.iucr.org/cgi-bin/paper?S2056989021007416

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