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Crystal structure and Hirshfeld surface analysis of ethyl 2-(7-chloro-3-methyl-2-oxo-1,2-dihydroquinoxalin-1-yl)acetate

Authors :
Nour El Hoda Mustaphi
Fatima Ezzahra Aboutofil
Lamyae El Houssni
Eiad Saif
Joel T. Mague
Karim Chkirate
El Mokhtar Essassi
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 80, Iss 4, Pp 430-434 (2024)
Publication Year :
2024
Publisher :
International Union of Crystallography, 2024.

Abstract

The quinoxaline moiety in the title molecule, C13H13ClN2O3, is almost planar (r.m.s. deviation of the fitted atoms = 0.033 Å). In the crystal, C—H...O hydrogen bonds plus slipped π-stacking and C—H...π(ring) interactions generate chains of molecules extending along the b-axis direction. The chains are connected by additional C—H...O hydrogen bonds. Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H...H (37.6%), H...O/O...H (22.7%) and H...Cl/Cl...H (13.1%) interactions.

Details

Language :
English
ISSN :
20569890
Volume :
80
Issue :
4
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.4f832516bf21419eab3d4eca58a714a9
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989024002664