Crystal structure and Hirshfeld surface analysis of 2,4-di-amino-6-[(1Z,3E)-1-cyano-2,4-di-phenyl-penta-1,3-dien-1-yl]pyridine-3,5-dicarbo-nitrile monohydrate.
Acta Crystallogr E Crystallogr Commun
; 80(Pt 5): 495-500, 2024 Apr 01.
Article
em En
| MEDLINE
| ID: mdl-38721428
ABSTRACT
The asymmetric unit of the title compound, C25H18N6·H2O, 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-Hâ¯N, C-Hâ¯N, O-Hâ¯N and N-Hâ¯O hydrogen bonds with each other directly and through water mol-ecules, forming layers parallel to the (001) plane. C-Hâ¯π inter-actions between these layers ensure the cohesion of the crystal structure. A Hirshfeld surface analysis indicates that Hâ¯H (39.1% for mol-ecule I; 40.0% for mol-ecule II), Câ¯H/Hâ¯C (26.6% for mol-ecule I and 25.8% for mol-ecule II) and Nâ¯H/Hâ¯N (24.3% for mol-ecules I and II) inter-actions are the most important contributors to the crystal packing.
Texto completo:
1
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2024
Tipo de documento:
Article