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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.
Vengatesh, G; Sundaravadivelu, M; Swinton Darious, Robert.
Afiliación
  • Vengatesh G; Department of Chemistry, The Gandhigram Rural Institute - Deemed to be University, Gandhigram 624302, Tamilnadu, India.
  • Sundaravadivelu M; Department of Chemistry, The Gandhigram Rural Institute - Deemed to be University, Gandhigram 624302, Tamilnadu, India.
  • Swinton Darious R; School of Chemistry, Bharathidasan University, Tiruchirappalli 620 024, Tamilnadu, India.
Acta Crystallogr E Crystallogr Commun ; 74(Pt 12): 1867-1871, 2018 Dec 01.
Article en En | 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-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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Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2018 Tipo del documento: Article País de afiliación: India

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Acta Crystallogr E Crystallogr Commun Año: 2018 Tipo del documento: Article País de afiliación: India