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Energetic copper (II) compound was synthesized based on 2,4,6-trinitrobenzoic acid (TNBA) and imidazole (IMI), which characterized by elemental analysis and FT-IR characterization. Single-crystal X-ray diffraction analysis revealed that [Cu-(IMI) 2 (H 2 O)(TNBA) 2 ] (1) belongs to monoclinic, pertains to P2 1 /c space group, β = 95.230(2)°and D c = 1.790 g cm À 3 . The five bonds formed by the central copper atom are derived from the two oxygen atoms and nitrogen atoms in the two TNBA and IMI ligands, and the oxygen atom in the water molecule, which present a novel five-coordination model and a unique pyramid structure and show a typical single tooth coordination pattern. Catalytic effects on the thermal decomposition of ammonium perchlorate (AP), RDX and HMX of complexe 1 were investigated in detail by employing the DSC technique. Complex 1 shows an outstanding catalytic activity. The non-isothermal kinetics parameters were calculated by the Kissinger's, Ozawa's and Starink's method, respectively. In the end, impact sensitivity was also determined by standard method. All the experimental data results supported the potential applications of the energetic complexes as additives of solid rocket propellants.