Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate

Abstract

In the title quinoline derivative, C24H19NO3, the two benzyl rings are inclined to the quinoline ring mean plane by 74.09 (8) and 89.43 (7)°, and to each other by 63.97 (10)°. The carboxylate group is twisted from the quinoline ring mean plane by 32.2 (2)°. There is a short intramolecular C - H⋯O contact forming an S(6) ring motif. In the crystal, molecules are linked by bifurcated C - H,H⋯O hydrogen bonds, forming layers parallel to the ac plane. The layers are linked by C - H⋯π interactions, forming a supramolecular three-dimensional structure.