Crystal structure and Hirshfeld surface analysis of diethyl 5-(2-cyanophenoxy)isophthalate

Abstract

The title compound, C19H17NO5, obtained by ether bond formation between the reagents, crystallizes in the monoclinic space group P21/c. The compound is non-planar, subtending a dihedral angle of 82.38 (4)° between the plane of hydroxy isophthalate-based ester and that of the benzonitrile moiety. The molecule is bent at the ether linkage, with a Caryl—O—Caryl bond angle of 116.74 (11)°. In the crystal, molecules are linked by C—H...O hydrogen bonds and other weak interactions forming a supramolecular framework. A Hirshfeld surface analysis was performed to generate two-dimensional fingerprint plots, which reveal the type of interactions occurring in the vicinity of the molecule.

Keywords

• crystal structure
• 5-hydroxy-isophthalic acid
• hydrogen bonding
• 2-fluorobenzonitrile