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Crystal structure and Hirshfeld surface analysis of 2,4,6,11- tetrakis (4-fluoro-phenyl)-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane

Publication Type : Journal Article

Publisher : IUCr Journal

Source : ActaCrystallographica Section E , 2018, E74, 1867

Url : https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281130/

Campus : Mysuru

Department : Chemistry

Year : 2018

Abstract : The title compound, C32H26F4N2O, crystallizes in the monoclinic space group P21/n with four mol­ecules in the unit cell. The compound was prepared by the NaBH4 reduction of 4,8,9,10-tetra­kis­(4-fluoro­phen­yl)-1,3-di­aza­adamantan-6-one in chloro­form and ethanol as solvent. The piperidine rings exhibit chair and boat conformations, and all four fluoro­phenyl 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 inter­actions. Hirshfeld surface and two-dimensional fingerprint analysis show that van der Waals inter­actions constitute a major contribution to the inter­molecular inter­actions, with H⋯H contacts accounting for 37.9% of the surface.

Cite this Research Publication : G. Vengatesh, M. Sundaravadivelu, and Robert Swinton Darious, Crystal structure and Hirshfeld surface analysis of 2,4,6,11- tetrakis (4-fluoro-phenyl)-9-oxa-1,5-diazatricyclo [5.3.1.03.8] undecane, ActaCryst. 2018, E74, 1867.

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