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

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.

Keywords

• crystal structure
• c—h...π(ring) interaction
• π-stacking
• hydrogen bond
• quinoxaline