Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-[(1 Z ,3 E )-1-cyano-2,4-di-phenyl-penta-1,3-dien-1-yl]pyridine-3,5-dicarbo-nitrile monohydrate.
İbrahim G MamedovVictor N KhrustalevMehmet AkkurtFuad Sh KerimliAjaya BhattaraiAli N KhalilovFarid N NaghiyevPublished in: Acta crystallographica. Section E, Crystallographic communications (2024)
The asymmetric unit of the title compound, C 25 H 18 N 6 ·H 2 O, comproses two mol-ecules ( I and II ), together with a water mol-ecule. The terminal phenyl groups attached to the methyl groups of the mol-ecules I and II do not overlap completely, but are approximately perpendicular. In the crystal, the mol-ecules 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 mol-ecules, forming layers parallel to the (001) plane. C-H⋯π inter-actions between these layers ensure the cohesion of the crystal structure. A Hirshfeld surface analysis indicates that H⋯H (39.1% for mol-ecule I ; 40.0% for mol-ecule II ), C⋯H/H⋯C (26.6% for mol-ecule I and 25.8% for mol-ecule II ) and N⋯H/H⋯N (24.3% for mol-ecules I and II ) inter-actions are the most important contributors to the crystal packing.