Quiroga Jairo, Pantoja Dayana, Cobo Justo, Glidewell Christopher
Grupo de Investigación de Compuestas Heteocíclicos, Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.
Acta Crystallogr C. 2013 Aug;69(Pt 8):884-7. doi: 10.1107/S0108270113017435. Epub 2013 Jul 9.
In the title compound, C₃₁H₂₉N₃O₂, the reduced pyridine ring adopts a conformation intermediate between the envelope and half-chair forms. The aryl rings of the benzyl and phenyl substituents are nearly parallel and overlap, indicative of an intramolecular π-π stacking interaction. A combination of two C-H∙∙∙O hydrogen bonds and one C-H∙∙∙N hydrogen bond links the molecules into a bilayer having tert-butyl groups on both faces.
在标题化合物C₃₁H₂₉N₃O₂中,还原的吡啶环采取一种介于信封式和半椅式构象之间的构象。苄基和苯基取代基的芳环几乎平行且重叠,表明存在分子内π-π堆积相互作用。两个C-H∙∙∙O氢键和一个C-H∙∙∙N氢键的组合将分子连接成一个两面都有叔丁基的双层结构。