Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 2-chloroethyl 2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydroquinoline-4-carboxylate

The title compound, C15H12ClNO3, consists of a 1,2-dihydroquinoline-4-carboxylate unit with 2-chloroethyl and propynyl substituents, where the quinoline moiety is almost planar and the propynyl substituent is nearly perpendicular to its mean plane. In the crystal, the molecules form zigzag stacks al...

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Bibliographic Details
Main Authors: Sonia Hayani, Yassir Filali Baba, Tuncer Hökelek, Fouad Ouazzani Chahdi, Joel T. Mague, Nada Kheira Sebbar, Youssef Kandri Rodi
Format: Article
Language:English
Published: International Union of Crystallography 2019-10-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
quinoline
alkyne
hydrogen bond
π-stacking
Hirshfeld surface
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989019012283

Internet

http://scripts.iucr.org/cgi-bin/paper?S2056989019012283

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