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.

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作者:Naghiyev Farid N, Khrustalev Victor N, Venskovsky Nikolai U, Akkurt Mehmet, Khalilov Ali N, Bhattarai Ajaya, Mamedov İbrahim G
The crystal used for structure determination contained, along with the title compound, C(17)H(14)BrN(3)O(4), an admixture [0.0324†(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 86.67†(9)°. The carboxyl-ate group lies near the plane of 4H-pyran, its orientation is stabilized by an intra-molecular C-H⋯O contact. In the crystal, the mol-ecules 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%) inter-actions.

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