Crystal structure and Hirshfeld surface analysis of (Z)-2-amino-4-(2,6-di-chloro-phen-yl)-5-(1-hy-droxy-ethyl-idene)-6-oxo-1-phenyl-1,4,5,6-tetra-hydro-pyridine-3-carbo-nitrile.
Acta Crystallogr E Crystallogr Commun
; 77(Pt 9): 930-934, 2021 Sep 01.
Article
em En
| MEDLINE
| ID: mdl-34584764
ABSTRACT
The mol-ecular conformation of the title compound, C20H15Cl2N3O2, is stabilized by an intra-molecular O-Hâ¯O hydrogen bond, forming an S(6) ring motif. The central pyridine ring is almost planar [maximum deviation = 0.074â
(3)â
Å]. It subtends dihedral angles of 86.10â
(15) and 87.17â
(14)°, respectively, with the phenyl and di-chloro-phenyl rings, which are at an angle of 21.28â
(15)° to each other. The =C(-OH)CH3 group is coplanar. In the crystal, mol-ecules are linked by inter-molecular N-Hâ¯N and C-Hâ¯N hydrogen bonds, and N-Hâ¯π and C-Hâ¯π inter-actions, forming a three-dimensional network. The most important contributions to the crystal packing are from Hâ¯H (33.1%), Câ¯H/Hâ¯C (22.5%), Clâ¯H/Hâ¯Cl (14.1%), Oâ¯H/Hâ¯O (11.9%) and Nâ¯H/Hâ¯N (9.7%) inter-actions.
Texto completo:
1
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2021
Tipo de documento:
Article