Hydrogen Bonding versus van der Waals Repulsion in 1,3,5-Trideoxy-1,3,5-tris(trimethylammonio)-cis-inositol Triiodide Sesquihydrate, C15H36N3O33+.3I−.1.5H2O

Abstract

The crystal structure of the trimethylammonio-cis-inositol molecule displays one bifurcated intramolecular hydrogen bond of the form O-H...O, a strong intermolecular O-H...OW contact and possible intermolecular C-H...O and O-H...I interactions. C-H...I interactions may also be considered. As a result of the three bulky N(CH 3 ) 3 groups and the OH groups, increased puckering of the cyclohexane ring is observed compared with an undistorted ideal cyclohexane chair conformation.