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

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.

Source: Acta Crystallographica Section E - March 26, 2024 Category: Chemistry Authors: Mustaphi, N.E.H. Aboutofil, F.E. El Houssni, L. Saif, E. Mague, J.T. Chkirate, K. Essassi, E.M. Tags: crystal structure — H... π (ring) interaction -stacking hydrogen bond quinoxaline research communications Source Type: research