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-[5.3.1.03.8]undeca-ne.
Acta Crystallogr E Crystallogr Commun
; 74(Pt 12): 1867-1871, 2018 Dec 01.
Article
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| MEDLINE
| ID: mdl-30574390
The title compound, C32H26F4N2O, crystallizes in the monoclinic space group P21/n with four mol-ecules in the unit cell. The compound was prepared by the NaBH4 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-Hâ¯F hydrogen bonds, C-Hâ¯π, N-Hâ¯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 Hâ¯H contacts accounting for 37.9% of the surface.
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Colección:
01-internacional
Banco de datos:
MEDLINE
Idioma:
En
Revista:
Acta Crystallogr E Crystallogr Commun
Año:
2018
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Article
País de afiliación:
India