Crystal structure of 3-[2-(4-methyl-phen-yl)ethyn-yl]-2H-chromen-2-one

Acta Crystallogr E Crystallogr Commun. 2015 Jan 10;71(Pt 2):o90-1. doi: 10.1107/S2056989014027790. eCollection 2015 Feb 1.

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 methyl-benzene ring, forming a dihedral angle of 33.68 (4)°. In the crystal, supra-molecular 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 inter-actions; these stack along the a axis.

Keywords: C—H⋯π inter­actions; asymmetric alkyne; coumarins; crystal structure; hydrogen bonding.