Abstract
A single-crystal X-ray diffraction study verified that the target oxidizer molecule 2,4-dinitroimidazole (24DNI) had been synthesized by thermal rearrangement of 1,4-dinitroimidazole. 24DNI crystallizes in the orthorhombic space group Pbca with unit-cell dimensionsa=10.127(2),b=18.497(2),c=6.333(2) A, andZ=8 and has a density of 1.770 g/cm3. The molecular packing consists of hydrogen-bonded chains of 24DNI molecules [N(1)−H(1)...N(3)] in thea direction which are held together in the lateral direction by molecular forces. Some structural features of 24DNI·are compared with those of 1,4-dinitroimidazole.
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