3-Nitro-1-nitromethyl-1H-1,2,4-triazole.

Acta Crystallogr C

Krasnoyarsk State University, Institute of Physics, Krasnoyarsk 660036, Russia.

Published: August 2000

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.

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http://dx.doi.org/10.1107/s010827010000665xDOI Listing

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