Synthesis and crystal structure of triacetyltribenzyl-hexaazaisowurtzitane (TATBIW•0.5H2O)

The title compound was synthesized by controlling the volumes of hydrogen consumed in the hydrogenolysis of hexabenzylhexaazaisowurtzitane (HBIW). The crystal and molecular structure of TATBIW center dot 0.5H(2)O was also described. Its crystal belongs to the triclinic system with space group P-1 and parameters : a 0.9893(2) nm, b= 1.2624(3) nm, c= 1.3396(3) run, V= 1.5963(6) nm(3), Z=2, D-c= 1.194 g center dot cm(-3). The success of synthesizing TATBIW will be helped to study the mechanism of the reduction of HBIW and improve the high yields of the final product.