Politzer, Peter published the artcilePerspectives on the crystal densities and packing coefficients of explosive compounds, Formula: C2H2N4O2, the publication is Structural Chemistry (2016), 27(1), 401-408, database is CAplus.
We have investigated possible relationships between four crystal properties: exptl. densities and computed intrinsic mol. volumes, packing coefficients and amounts of free space per mol. in the crystal lattices. Our focus was upon C-, H-, N-, O-containing explosive compounds The objectives were to gain some insight into how densities might be increased, to improve detonation performance, and the amounts of free space per mol. decreased, to counter one of the factors promoting undesired sensitivity to accidental stimuli. The issue of mol. planarity was also examined The best correlation found between the four properties is perhaps a surprising one: The free space per mol. increases as the mols. are bigger. On the other hand, some relationships that seem to be intuitively reasonable turn out to be quite weak. The principal pos. conclusions are that it is desirable for explosive compounds to be composed of mols. that are small and preferably planar.
Structural Chemistry published new progress about 84406-63-3. 84406-63-3 belongs to triazoles, auxiliary class Triazole,Nitro Compound, name is 4-Nitro-2H-1,2,3-triazole, and the molecular formula is C2H2N4O2, Formula: C2H2N4O2.
Referemce:
https://en.wikipedia.org/wiki/1,2,3-Triazole,
Triazoles – an overview | ScienceDirect Topics