Ethyl 2-[2-(4-oxo-4 H-chromen-2-yl)phenoxy]acetate

IUCrdata. 2018 Jul;3(7):x180993. doi: 10.1107/S2414314618009938.

Abstract

In the title flavonoid derivative, C19H16O5, the chromene portion is planar (r.m.s. deviation = 0.022 Å) with the substituents lying closely to the same plane. The dihedral angle between its mean plane and that of the benzene ring is 4.9 (1)°. This planarity is due, in part, to the presence of a strong intramolecular C-H⋯O hydrogen bond and to two weak C-H⋯O contacts. In the crystal, neighboring molecules are linked by a C-H⋯O hydrogen bond and a C-H⋯π interaction, forming chains along the a-axis direction.

Keywords: C—H⋯π(ring) interactions; chromene; crystal structure; flavonoid derivative; hydrogen bonding.