Energetic aminated-azole assemblies from intramolecular and intermolecular N–H⋯O and N–H⋯N hydrogen bonds

Abstract

Compounds with adjacent C–NO₂, C–NH₂ and N–NH₂ groups were designed and synthesized via amination. Their structures were characterized by infrared, and multinuclear NMR spectroscopy, elemental analysis, and X-ray single crystal diffraction. The effect of intramolecular and intermolecular N–H⋯O and N–H⋯N hydrogen bonds is discussed. Detonation properties were calculated by EXPLO 5 software based on calculated HOFs and experimental densities.