3-Nitro-1-nitromethyl-1H-1,2,4-triazole
The title compound, C(3)H(3)N(5)O(4), consists of three planar fragments twisted in relation to each other, namely a triazole ring, a nitromethylene group and a nitro group. Molecular conformation analysis shows that the first stage of thermal decomposition is a breakage of the H(2)C-NO(2) bond. There are essential conformational differences in the molecule in comparison with semi-empirical calculations.
Vasiliev
AD
Krasnoyarsk State University, Institute of Physics, Krasnoyarsk 660036, Russia. adva@iph.krasnoyarsk.su.
Astachov
AM
Golubtsova
OA
Kruglyakova
LA
Stepanov
RS