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Crystal structure and Hirshfeld surface analysis of 2,4,6,11-tetrakis(4-fluorophenyl)-9-oxa-1,5-diazatricyclo[5.3.1.0(3.8)]undecane
The title compound, C(32)H(26)F(4)N(2)O, crystallizes in the monoclinic space group P2(1)/n with four molecules in the unit cell. The compound was prepared by the NaBH(4) reduction of 4,8,9,10-tetrakis(4-fluorophenyl)-1,3-diazaadamantan-6-one in chloroform and ethanol as solvent. The piperid...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6281130/ https://www.ncbi.nlm.nih.gov/pubmed/30574390 http://dx.doi.org/10.1107/S2056989018016122 |
Sumario: | The title compound, C(32)H(26)F(4)N(2)O, crystallizes in the monoclinic space group P2(1)/n with four molecules in the unit cell. The compound was prepared by the NaBH(4) 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. |
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