Crystal structure of 4-[(2-hvdroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate

Abstract

In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)center dot H2O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C-aryl-CH2-NH-C-aryl of -83.9 (2)degrees. In the crystal, the system of O-H center dot center dot center dot O hydrogen bonds, including bridging water molecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, there are also weak N-H center dot center dot center dot pi interactions involving the vanilline benzene ring.