Synthesis, non-spherical structure refinement and Hirshfeld surface analysis of racemic 2,2′-diisobut­oxy-1,1′-bi­naphthalene

Abstract

The structure of the title 1–1′-binaphthyl derivative was refined with non-spherical atomic form factors computed using the DFT method at the PBE0/def2-TZVP basis set level.

In the racemic title compound, C₂₈H₃₀O₂, the naphthyl ring systems subtend a dihedral angle of 68.59 (1)° and the mol­ecular conformation is consolidated by a pair of intra­molecular C—H⋯π contacts. The crystal packing features a weak C—H⋯π contact and van der Waals forces. A Hirshfeld surface analysis of the crystal structure reveals that the most significant contributions are from H⋯H (73.2%) and C⋯H/H⋯C (21.2%) contacts.