Abstract
The title compound, a hydrate of 3,5-di-amino-1,2,4-triazole (DATA), C(2)H(5)N(5)·H(2)O, was synthesized in the presence of sodium perchlorate. The evaporation of H(2)O from its aqueous solution resulted in anhydrous DATA, suggesting that sodium perchlorate was required to precipitate the DATA hydrate. The DATA hydrate crystallizes in the P2(1)/c space group in the form of needle-shaped crystals with one DATA and one water mol-ecule in the asymmetric unit. The water mol-ecules form a three-dimensional network in the crystal structure. Hirshfeld surface analysis revealed that 8.5% of the inter-molecular inter-actions originate from H⋯O contacts derived from the incorporation of the water mol-ecules.