Crystal structure and Hirshfeld surface analysis of 2,4,6,11-tetra-kis-(4-fluoro-phen-yl)-9-oxa-1,5-di-aza-tri-cyclo-[5.3.1.0(3.8)]undeca-ne

2,4,6,11-四-(4-氟苯基)-9-氧杂-1,5-二氮杂三环-[5.3.1.0(3.8)]十一烷的晶体结构和Hirshfeld表面分析

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Abstract

The title compound, C(32)H(26)F(4)N(2)O, crystallizes in the monoclinic space group P2(1)/n with four mol-ecules in the unit cell. The compound was prepared by the NaBH(4) reduction of 4,8,9,10-tetra-kis-(4-fluoro-phen-yl)-1,3-di-aza-adamantan-6-one in chloro-form and ethanol as solvent. The piperidine rings exhibit chair and boat conformations, and all four fluoro-phenyl groups are oriented in the equatorial direction. The crystal structure features C-H⋯F hydrogen bonds, C-H⋯π, N-H⋯π and π-π inter-actions. Hirshfeld surface and two-dimensional fingerprint analysis show that van der Waals inter-actions constitute a major contribution to the inter-molecular inter-actions, with H⋯H contacts accounting for 37.9% of the surface.

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