Synthesis, crystal structure and thermal analysis of two new energetic compounds (AIM) NO₃ and (AIM) (HTNR) • H₂O

Two new energetic compounds (AIM) NO₃ and (AIM) (HTNR) • H₂O have been prepared directly by reacting 2-azidoimidazolium with HNO₃ and 2, 4, 6-trinitroresorcinol (TNR). Single crystals suitable for X-ray measurement were obtained. The compounds were characterized by elemental analysis, fourier transform infrared (FTIR) spectra, single crystal X-ray diffraction, differential scanning calorimetry (DSC), and thermogravimetry-differential thermogravimetry (TG-DTG) analysis. (AIM) NO₃ belongs to a monoclinic system with P2₁/c space group and cell parameters of a=17.034 (3) Å, b=6.5214 (13) Å, c=13.095 (3) Å, β =111.78 (3)^°, V=1350.8 (5) nm³; D_c=1.693 g/cm³. The compound is formed by AIM⁺ and NO₃^-, and belongs to an ionic compound. There are a lot of intramolecular and intermolecular hydrogen bonds existing in the compound, which makes the compound more stable. (AIM) (HTNR) • H₂O belongs to a triclinic system with P1̄ space group and cell parameters of a=6.4900 (13) Å, b=7.4286 (15) Å, c=15.401 (3) Å, α =101.57 (3)^°, β =98.56 (3)^°, γ =99.89 (3)^°, V=703.6 (2) ų; D_c=1.757 g/cm³. The compound is formed by AIM⁺ and HTNR^-, and belongs to an ionic compound. Under nitrogen atmosphere with a heating rate of 10°C/min, the thermal decomposition of the title compounds show that there is only one exothermic process with released gas, respectively. Sensitivities of the title compounds have been studied and the result show that (AIM) NO₃ has good flame sensitivity.