Crystal structure of 4-(3,4-dicyanophenoxy)-N-[3-(dimethylamino)propyl]benzamide monohydrate: A phenoxyphthalonitrile derivative

Abstract

In the title compound, C20H20N4O2·H2O, the planes of the phenoxy and phthalonitrile rings are oriented at a dihedral angle of 60.39 (5)°. The 3-(dimethylamino) propyl chain has an extended conformation and is cis with respect to the phthalonitrile ring. In the crystal, O-H⋯O, O-H⋯N and N-H⋯O hydrogen bonds link the molecules to form slabs parallel to (100). There are also C-H⋯O and C-H⋯N hydrogen bonds and C-H⋯π interactions present within the slabs. The slabs are linked by a pair of inversion-related C-H⋯N hydrogen bonds, involving phthalonitrile rings, forming a three-dimensional structure.