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

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...

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Bibliographic Details
Main Authors: Farid N. Naghiyev, Victor N. Khrustalev, Nikolai U. Venskovsky, Mehmet Akkurt, Ali N. Khalilov, Ajaya Bhattarai, İbrahim G. Mamedov
Format: Article
Language:English
Published: International Union of Crystallography 2022-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989022008271
Description
Summary: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.
ISSN:2056-9890