Hydrazoic acid (HN(3))--potentially explosive, highly toxic, and very hygroscopic--is the simplest covalent azide and contains 97.7 wt % nitrogen. Although its molecular structure was established decades ago, its crystal structure has now been solved by X-ray diffraction for the first time. Molecules of HN(3) are connected to each other by hydrogen bonds in nearly planar layers parallel to (001) with stacking sequence A, B, ... The layer distance, at 2.950(1) Å, is shorter than that in 2H-graphite [3.355(2) Å]. The hydrogen bonds N-H···N are of great interest, since the azido group consists of three homonuclear atoms with identical electronegativity, but different formal charges. These hydrogen bonds are bifurcated into moderate ones with ≈2.0 Å and into weak ones with ≈2.6 Å. The moderate ones build up tetramers (HN(3))(4) in a nearly planar net of eight-membered rings. To the best of our knowledge, such a network of tetramers of a simple molecule is unique.

1,3-Diazido-2-nitro-2-azapropane (DANP) and 1,7-diazido-2,4,6-trinitro-2,4,6-triazaheptane (DATH) were synthesized, thoroughly analyzed, and their explosive properties and sensitivities toward friction and impact were measured. The precursors 1,3diacetoxy-2-nitro-2-azapropane (1), 1,3-dichloro-2-nitro-2-azapropane (3), and 1,7-dichloro-2,4,6-trinitro-2,4,6-triazaheptane (4)as well as DATH -were furthermore characterized by X-ray diffraction.

Dinitromethyltetrazole is an easily accessible and highly energetic compound which -due to its acidity -gives rise to a wide range of energetic salts. The present study investigates dinitromethyltetrazole and several of its salts. The compounds were characterized using multinuclear NMR as well as vibrational spectroscopy and X-ray diffraction. The energetic properties were estimated using the EXPLO5 code and the sensitivities of the compounds were measured. Scheme 1. Reported salts of dnmtH 2 .Scheme 2. Syntheses of dnmtH 2 .Scheme 3. Syntheses of dinitromethyltetrazolate salts. Dinitromethyltetrazole and its Salts -A Comprehensive Study

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The synthesis and structural properties (from X‐ray diffraction or B3LYP/6‐31G(d) calculations) of three energetic compounds derived from tris(chloromethyl)amine and of tris(chloromethyl)amine itself were investigated and compared to those of compounds with similar structures. The compounds have almost planar NC3 units at their amine center, and the substituents bound to the CH2 groups tend to be reactive towards further substitution. Multiple hyperconjugation was used to explain these observations.