STRUCTURE OF 1,2,4-TRIAZOLIDINE-3,5-DIONE (URAZOLE) AT 105-K

C2H3N3O2, M(r) = 101.06, monoclinic, P2(1)/n, a = 3.462 (1), b = 9.513 (1), c = 10.995 (2), beta = 95.06 (2)-degrees, V = 360.7 (1) angstrom 3, Z = 4, D(x) = 1.861 g cm-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 1.52 cm-1, F(000) = 208, T = 105 K, R = 0.0458, wR = 0.0359 for 1326 unique observed reflections and 81 parameters. In the crystal the molecules exist in the diketo form. The two adjacent H atoms are in trans position; the N atom between the two carbonyl groups has a nearly planar geometry. The H atoms form one bifurcated and two almost linear hydrogen bonds resulting in a three-dimensional hydrogen-bonding network.