Crystal structure and Hirshfeld surface analysis of hexyl 1-hexyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

Abstract

The asymmetric unit of the title compound, C22H31NO3, comprises of one molecule. The molecule is not planar, with the carboxylate ester group inclined by 33.47 (4)degrees to the heterocyclic ring. Individual molecules are linked by C-aromatic-H center dot center dot center dot O-carbonyl hydrogen bonds into chains running parallel to [001]. Slipped pi-pi stacking interactions between quinoline moieties link these chains into layers extending parallel to (100). Hirshfeld surface analysis, twodimensional fingerprint plots and molecular electrostatic potential surfaces were used to quantify the intermolecular interactions present in the crystal, indicating that the most important contributions for the crystal packing are from H center dot center dot center dot H (72%), O center dot center dot center dot H/H center dot center dot center dot O (14.5%) and C center dot center dot center dot H/H center dot center dot center dot C (5.6%) interactions.