Helical Tubulate Inclusion Compounds: Size, Shape, and Stoichiometry

Abstract

The X-ray crystal structures of helical tubulate inclusion compounds of the diol host 1 reveal considerable variation in canal size depending on the specific guest entrapped. Examination of this data reveals how such flexibility is achieved through changes in the host orientation and hydrogen bonding angles. The sum of these effects makes 1 a potent inclusion host for a wide range of small molecules and depends little on the guest functional group. Representative helical tubulate stoichiometries, packing, and interactions are explored. The guest-free diol exists with the same lattice type as an empty microporous solid.