What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties

Abstract

Previously unknown crystal structures of a series of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxide derivatives were predicted and experimentally determined. The dense crystal packing suggests their potential use as high-energy materials.