Preparation, crystal structure and properties of a new crystal form of diammonium 5,5′-bistetrazole-1,1′-diolate

A new crystal form of diammonium 5,5′-bistetrazole-1,1′-diolate (1) was prepared by two novel methods and fully characterized by using IR, NMR spectroscopy, elementary analysis, single crystal X-ray crystallography and thermal gravity/differential thermal analysis (TG/DTA). Crystalline 1 was found as monoclinic and space group of P21/c (14). The TG/DTA analysis showed that the decomposition temperature of 1 was 287.8°C with a mass loss of 91.2% in the range of 220-300°C at a heating rate of 5°C/min. The sensitivities test towards impact, friction of 1 indicated that 1 has much lower sensitivities than those of RDX/HMX and is comparable to those of TNT, which suggested that 1 could be used as a good candidate of new insensitive energetic compound. A new crystal form of diammonium 5,5′-bistetrazole-1,1′-diolate (1) was prepared by two different novel methods and found as monoclinic and space group of P21/c (14). The thermal decomposition analysis and sensitivities test towards impact, friction of 1 indicated that 1 has much lower sensitivities than those of RDX/HMX and comparable to those of TNT, which suggested that 1 could be used as a good candidate of new insensitive energetic compound.