The crystal used for structure determination contained, along with the title compound, C(17)H(14)BrN(3)O(4), an admixture [0.0324â (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 86.67â (9)°. The carboxyl-ate group lies near the plane of 4H-pyran, its orientation is stabilized by an intra-molecular C-Hâ¯O contact. In the crystal, the mol-ecules are connected into layers by N-Hâ¯N and N-Hâ¯O hydrogen bonds. The most important contributions to the crystal packing are from Hâ¯H (33.1%), Oâ¯H/Hâ¯O (16.3%), Nâ¯H/Hâ¯N (12.1%), Brâ¯H/Hâ¯Br (11.5%) and Câ¯H/Hâ¯C (10.6%) inter-actions.
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
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2022 | 起止号: | 2022 Aug 26; 78(Pt 9):942-946 |
| doi: | 10.1107/S2056989022008271 | ||
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