Synthesis, crystal structure and thermal analysis of (TAGH)(HTNR)

A new energetic compound (TAGH)(HTNR) (TAG: triaminoguanidine, H₂TNR: 2,4,6-trinitroresorcinol) was synthesized by reacting triaminoguanidine with 2,4,6-trinitroresorcinol (Styphnic acid) in aqueous solution under nitrogen atmosphere. Single crystals suitable for X-ray measurement were obtained. The title compound was characterized by elemental analysis, Fourier transform infrared (FTIR) spectra, differential scanning calorimetry (DSC), thermal gravimetry-differential thermal gravimetry (TG-DTG) and single crystal X-ray diffraction analysis. The crystal belongs to a triclinic system with P-1 space group and cell parameters of a=0.75554(15) nm, b=_0.90816(18) nm, c=1.0264(2) nm, α=101.61(3)°, β=91.96(3)°, γ=107.74(3)°, V=0.6536(2) nm³, D_c=1.775 g/cm³, Z=2, F(000)=360, μ=0.160 mm^-1, R₁=0.0479, and ωR₂=0.0998. The results show that the title compound C₇N₉O₇ H11 formed by [C(N₂H₃)₃]⁺ and (C₂N₃ O₈H₂)^- belongs to an ionic compound. There are a lot of intramolecular and intermolecular hydrogen bonds existing in the title compound, which make the title compound stable. Under nitrogen atmosphere with a heating rate of 10 K/min, the thermal decomposition of the title compound displayed one endothermic decomposition process and three exothermic processes with released gas as the main products and only 1% leavings.