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7-苄基-3-叔丁基-1-苯基-4,5,6,7-四氢-1H-螺[吡唑并[3,4-b]吡啶-5,2'-茚]-1',3'-二酮中的氢键双层

Hydrogen-bonded bilayers in 7-benzyl-3-tert-butyl-1-phenyl-4,5,6,7-tetrahydro-1H-spiro[pyrazolo[3,4-b]pyridine-5,2'-indan]-1',3'-dione.

作者信息

Quiroga Jairo, Pantoja Dayana, Cobo Justo, Glidewell Christopher

机构信息

Grupo de Investigación de Compuestas Heteocíclicos, Departamento de Química, Universidad de Valle, AA 25360 Cali, Colombia.

出版信息

Acta Crystallogr C. 2013 Aug;69(Pt 8):884-7. doi: 10.1107/S0108270113017435. Epub 2013 Jul 9.

Abstract

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.

摘要

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。

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