Crystal structure of 3-[2-(4-methylphen-yl)ethynyl]-2H-chromen-2-one

Abstract

The coumarin ring system in the title asymmetric alkyne, C18H12O2, is approximately planar (r.m.s. deviation of the 11 non-H atoms = 0.048 Å), and is inclined with respect to the methylbenzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supramolecular zigzag chains along the c-axis direction are formed via weak C - H⋯O hydrogen bonds, and these are connected into double layers via weak C - H⋯π interactions; these stack along the a axis.