TY - JOUR A1 - Shainyan, Bagrat A. A1 - Meshcheryakov, Vladimir I. A1 - Sterkhova, I. V. A1 - Kelling, Alexandra A1 - Schilde, Uwe T1 - Structure of the molecule of 1,2-bis(1-ethyl-1 H -1,2,3-triazol-4-yl)diazene 1-oxide in the crystal and in solutions N2 - Reduction of 4-nitro-1-ethyl-1H-1,2,3-triazole with aluminum in alkaline medium resulted in a syn-isomer of 1,2- bis(1-ethyl-1H-1,2,3-triazol-4-yl)diazene 1-oxide. The latter according to the data of X-ray diffraction analysis existed in the crystal as the most stable s-cis,s-trans-conformer, and in solution, as showed NMR data, as a mixture of s-cis,s-trans- and s-trans,s-trans-conformers. The data of quantum-chemical calculations are in agreement with the results of the structural studies. Y1 - 2008 UR - http://springer.metapress.com/content/p210730742rh4117/ SN - 1070-4280 ER -