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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

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-di­hydro-1H-indole ring system is nearly planar, while the conformation of the 4H-pyran ring is close to a flattened boat. The mean p...

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Detalles Bibliográficos
Autores principales: Naghiyev, Farid N., Khrustalev, Victor N., Venskovsky, Nikolai U., Akkurt, Mehmet, Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9443792/
https://www.ncbi.nlm.nih.gov/pubmed/36072515
http://dx.doi.org/10.1107/S2056989022008271
Descripción
Sumario: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-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.