Supramolecular Recognition and Structural Elucidation of Inclusion Complexes of an Achiral Carbene Precursor in β<i>-</i> and Permethylated β<i>-</i>Cyclodextrin

Inclusion of achiral carbene precursor endo-8-azibicyclo[3.2.1]octan-3-ol (1) in chiral β-cyclodextrin (7-Cy) and tri-O-methyl-β-cyclodextrin (TRIMEB) leads to 1:1 complexes 1@7-Cy and 1@TRIMEB, respectively. The combined methods of induced circular dichroism, NMR spectroscopy, and X-ray structure determination were employed for the first time for structural elucidation of the complexes in solution and the solid state. Significantly different orientations of 1 were observed. Compared with 1@7-Cy, 1@TRIMEB exhibits a different guest orientation and an association constant one-twentieth lower.