Confinement of Water Pentamers within the Crystals of a Reduced Cyclotribenzoin

Abstract

Reduction of cyclotribenzoin with sodium borohydride produces a cone-shaped hexaol. Crystals of this hexaol, obtained from wet tetrahydrofuran, encapsulate clusters of five water molecules in an idealized hydrogen-bonded arrangement. The water pentamer is stabilized by hydrogen bonding with the –OH groups of the hexaol, and [O−H⋅⋅⋅π] interactions with the benzene rings of the reduced cyclotribenzoin.