Crystal structure of gamma-hexanitrohexaazaisowurtzitane

Hexanitrohexaazaisowurtzitane (HNIW) was synthesized by a three-step reacti on: condensation of benzylamine with glyoxal, debenzylation of condensation product, and nitrolysis of debenzylation product. The obtained nitrolysis product is alpha - HNIW which was identified by IR, H-1 NMR,C-13 NMR, MS(CI ) and elemental analysis. Dissolving the alpha - HNIW in an appropriate sol vent followed by evaporating the solvent slowly to a certain extent at a fi xed temperature gave single crystals of gamma - HNIW(identified by FTIR, FI R and LR spectra). HNIW consists of a rigid isowurtzitane cage with a nitro group attached to each of the six bridging nitrogens within the cage. This cage polycyclic nitramine.