Crystal Structure, DFT and MEP Study of (E)-2-[(2-hydroxy-5-methoxybenzylidene)amino]benzonitrile

Abstract

The asymmetric unit of the title compound, C<inf>15</inf>H<inf>12</inf>N<inf>2</inf>O<inf>2</inf>, contains two crystallographically independent molecules in which the dihedral angles between the benzene rings in each are 13.26 (5) and 7.87 (5)°. An intramolecular O-H· ·N· hydrogen bonds results in the formation of an S(6) ring motif. In the crystal, molecules are linked by weak C-H· · ·O and C-H· · ·N hydrogen bonds, forming layers parallel to (011). In addition, π- π stacking interactions with centroid-centroid distances in the range 3.693 (2)-3.931 (2) Å complete the three-dimensional network. © 2019 International Union of Crystallography. All rights reserved.