STRUCTURE OF 3-AMINO-5-NITRO-1,2,4-TRIAZOLE HYDRATE

C2H3N5O2.H2O, M(r) = 147.09, monoclinic, P2(1)/c, a = 11.129 (3), b = 15.227 (3), c = 7.130 (2) angstrom, beta = 101.29 (2)-degrees, V = 1184.88 angstrom 3, Z = 8, D(x) = 1.649 g cm-3, lambda(Mo K-alpha-1) = 0.70926 angstrom, mu = 1.4 cm-1, F(000) = 608, room temperature, final R = 0.028 for the 989 observed reflections with I > 3-sigma(I) from 1540 independent reflections. There are two formula units in the asymmetric unit. The geometries of the two molecules are very similar. Rings are planar within 0.006 angstrom. All H atoms take part in hydrogen bonds.