title: 3-Nitro-1-nitromethyl-1H-1,2,4-triazole
abstract: 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.
authors.affiliation: Krasnoyarsk State University, Institute of Physics, Krasnoyarsk 660036, Russia. adva@iph.krasnoyarsk.su.
authors.initials: AD
authors.lastname: Vasiliev
authors.initials: AM
authors.lastname: Astachov
authors.initials: OA
authors.lastname: Golubtsova
authors.initials: LA
authors.lastname: Kruglyakova
authors.initials: RS
authors.lastname: Stepanov