Crystal structure and Hirshfeld surface analysis of 2,4-diamino-6-[(1Z,3E)-1-cyano-2,4-diphenylpenta-1,3-dien-1-yl]pyridine-3,5-dicarbonitrile monohydrate

The asymmetric unit of the title compound, C25H18N6·H2O, comproses two molecules (I and II), together with a water molecule. The terminal phenyl groups attached to the methyl groups of the molecules I and II do not overlap completely, but are approximately perpendicular. In the crystal, the molecules are connected by N-H⋯N, C-H⋯N, O-H⋯N and N-H⋯O hydrogen bonds with each other directly and through water molecules, forming layers parallel to the (001) plane. C-H⋯π interactions between these layers ensure the cohesion of the crystal structure. A Hirshfeld surface analysis indicates that H⋯H (39.1% for molecule I; 40.0% for molecule II), C⋯H/H⋯C (26.6% for molecule I and 25.8% for molecule II) and N⋯H/H⋯N (24.3% for molecules I and II) interactions are the most important contributors to the crystal packing. © 2024 International Union of Crystallography. All rights reserved.