Crystal structure and Hirshfeld surface analysis of ethyl 2′-amino-5-bromo-3′-cyano-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-5′-carboxylate
Acta Crystallographica Section E: Crystallographic Communications, vol.78, no.Pt 9, pp.942-946, 2022 (ESCI, Scopus)
- Publication Type: Article / Article
- Volume: 78 Issue: Pt 9
- Publication Date: 2022
- Doi Number: 10.1107/s2056989022008271
- Journal Name: Acta Crystallographica Section E: Crystallographic Communications
- Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
- Page Numbers: pp.942-946
- Keywords: crystal structure, spiro-oxindoles, hydrogen bonds, van der Waals interactions, Hirshfeld surface analysis
- Open Archive Collection: AVESIS Open Access Collection
- Kayseri University Affiliated: No
Abstract
© 2022 Naghiyev et al.The crystal used for structure determination contained, along with the title compound, C17H14BrN3O4, an admixture [0.0324 (11)] of its 7-bromo isomer. The 2,3-dihydro-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 86.67 (9)°. The carboxylate group lies near the plane of 4H-pyran, its orientation is stabilized by an intramolecular C-HO contact. In the crystal, the molecules are connected into layers by N-HN and N-HO hydrogen bonds. The most important contributions to the crystal packing are from HH (33.1%), OH/HO (16.3%), NH/HN (12.1%), BrH/HBr (11.5%) and CH/HC (10.6%) interactions.