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.

Autor: Mamedov, Ibrahim G., Khrustalev, Victor N., Akkurt, Mehmet, Kerimli, Fuad Sh., Bhattarai, Ajaya, Khalilov, Ali N., Naghiyev, Farid N.
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Apr2024, Vol. 80 Issue 5, p495-500, 16p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index