Crystal structure and Hirshfeld surface analysis of dimethyl (3aS,6R,6aS,7S)-2-(2,2,2-tri-fluoro-acet-yl)-2,3-di-hydro-1H,6H,7H-3a,6:7,9a-di-epoxy-benzo[de]iso-quinoline-3a(1),6a-di-carboxyl-ate

二甲基(3aS,6R,6aS,7S)-2-(2,2,2-三氟乙酰基)-2,3-二氢-1H,6H,7H-3a,6:7,9a-二环氧苯并[de]异喹啉-3a(1),6a-二羧酸酯的晶体结构和Hirshfeld表面分析

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Abstract

The title mol-ecule, C(18)H(16)F(3)NO(7), comprises a fused cyclic system containing four five-membered (two di-hydro-furan and two tetra-hydro-furan) rings and one six-membered (piperidine) ring. The five-membered di-hydro-furan and tetra-hydro-furan rings adopt envelope conformations, and the six-membered piperidine ring adopts a distorted chair conformation. Intra-molecular O⋯F inter-actions help to stabilize the conformational arrangement. In the crystal structure, mol-ecules are linked by weak C-H⋯O and C-H⋯F hydrogen bonds, forming a three-dimensional network. The Hirshfeld surface analysis confirms the dominant role of H⋯H contacts in establishing the packing.

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