Crystal structure and Hirshfeld surface analysis of ethyl 2'-amino-5-bromo-3'-cyano-6'-methyl-2-oxo-spiro-[indoline-3,4'-pyran]-5'-carboxyl-ate.
Acta Crystallogr E Crystallogr Commun
; 78(Pt 9): 942-946, 2022 Sep 01.
Article
em En
| MEDLINE
| ID: mdl-36072515
ABSTRACT
The crystal used for structure determination contained, along with the title compound, C17H14BrN3O4, an admixture [0.0324â
(11)] of its 7-bromo isomer. The 2,3-di-hydro-1H-indole ring system is nearly planar, while the conformation of the 4H-pyran ring is close to a flattened boat. The mean planes of these fragments form a dihedral angle of 86.67â
(9)°. The carboxyl-ate group lies near the plane of 4H-pyran, its orientation is stabilized by an intra-molecular C-Hâ¯O contact. In the crystal, the mol-ecules are connected into layers by N-Hâ¯N and N-Hâ¯O hydrogen bonds. The most important contributions to the crystal packing are from Hâ¯H (33.1%), Oâ¯H/Hâ¯O (16.3%), Nâ¯H/Hâ¯N (12.1%), Brâ¯H/Hâ¯Br (11.5%) and Câ¯H/Hâ¯C (10.6%) inter-actions.
Texto completo:
1
Base de dados:
MEDLINE
Idioma:
En
Ano de publicação:
2022
Tipo de documento:
Article