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

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Naghiyev F. N., Khrustalev V. N., Venskovsky N. U., AKKURT M., Khalilov A. N., Bhattarai A., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.78, no.Pt 9, pp.942-946, 2022 (ESCI) identifier identifier identifier


© 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.