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Crystal structure and Hirshfeld surface analysis of ethyl 2′-amino-5-bromo-3′-cyano-6′-methyl-2-oxospiro[indoline-3,4′-pyran]-5′-carboxylate

Authors :
Farid N. Naghiyev
Victor N. Khrustalev
Nikolai U. Venskovsky
Mehmet Akkurt
Ali N. Khalilov
Ajaya Bhattarai
İbrahim G. Mamedov
Source :
Acta Crystallographica Section E: Crystallographic Communications, Vol 78, Iss 9, Pp 942-946 (2022)
Publication Year :
2022
Publisher :
International Union of Crystallography, 2022.

Abstract

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—H...O contact. In the crystal, the molecules are connected into layers by N—H...N and N—H...O hydrogen bonds. The most important contributions to the crystal packing are from H...H (33.1%), O...H/H...O (16.3%), N...H/H...N (12.1%), Br...H/H...Br (11.5%) and C...H/H...C (10.6%) interactions.

Details

Language :
English
ISSN :
20569890
Volume :
78
Issue :
9
Database :
Directory of Open Access Journals
Journal :
Acta Crystallographica Section E: Crystallographic Communications
Publication Type :
Academic Journal
Accession number :
edsdoj.2d89dc6a15f8498caacc99ca403b3d4e
Document Type :
article
Full Text :
https://doi.org/10.1107/S2056989022008271