Monoclinic Modification of Trimolecular Cocrystallizate of the High-Energy Polynitramine CL-20 with H2O2 and H2O: Synthesis and Structure

A solid trimolecular complex (TMC II ) formed by molecules of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20), H 2 O 2 , and H 2 O in a molar ratio of 2 : 0.8 : 0.2 and its crystal structure is studied. The parameters of the TMC II monoclinic cell at a temperature of 100 K are as follows: a = 28.4513(15) Å, b = 8.9636(6) Å, c = 12.7811(8) Å, β = 113.486(9)°, and V = 2989.5(3) Å 3 ; and the calculated density is 2.023 g/cm 3 . Taking into account the real ratio of TMC components II , the density at 292 K is 1.959 g/cm 3 . The structure of TMC II contains CL-20 molecules in two conformational states, as a result of which the H 2 O 2 molecules occur in different local environments. These results are confirmed by the data of chemical analysis, IR spectroscopy, and thermogravimetry (TG).