BH–+HC Interactions in N-Borane and N-Chloroborane Adducts Derived from 1,3,5-Heterocyclohexanes

Abstract

The molecular structures of 5-methyl-1,3-dithia-5-aziniumcyclohexane iodide, 5-chloroborane-5-methyl-1,3-dithia-5-azacyclohexane, 3,5-bis(borane)-3,5-dimethyl-1-thia-3,5-diazacyclohexane, and 1-borane-1,3,5-trimethyl-1,3,5-triazacyclohexane were determined by X-ray diffraction studies. Interactions between hydridic and protic hydrogen atoms are present when the distances between hydridic and protic hydrogen atoms are shorter than 265 pm and angles for B–N–C bonds are smaller than 107.6(3)°. These interactions explain the conformation of the borane adducts in the solid state.