Unique trifurcated hydrogen bonding in a pseudopolymorph of tricyclohexane triperoxide (TCIP) and its thermal studies

Tricyclohexane triperoxide (TCTP) was synthesized as a main by-product of tetraoxane synthesis and was characterized by spectroscopic techniques viz. H-1 NMR, C-13 NMR, FT-IR and Raman. The single crystal X-ray structure revealed the inclusion of solvent in 1:1 stoichiometric ratio involving a unique trifurcated C(sp(3))-H center dot center dot center dot O hydrogen bonding imparting remarkable symmetry to the molecule. The thermal stability of single crystal was determined by TG-DTA and DSC. (C) 2012 Elsevier Ltd. All rights reserved.