Crystal structure of 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole

Abstract

The crystal structure of 4-amino-3-hydrazino-5-mercapto-1,2,4-triazole, C₂H₆N₆S, has been determined from three-dimensional diffractometer data. The monoclinic unit cell, P2₁/m has dimensions, a= 6·358(1), b= 6·519(4), c= 6·906(1)Å, β= 90·33(2)°, and Z= 2. The structure was refined by least-squares to R 0·048. The planar triazole molecules are at y=¼ and ¾. Interatomic distances (Å); (each ± 0·005): C–S 1·681, N–N 1·406 (ring), side chain (hydrazino) 1·398, side chain (amino) 1·394; N(2)–C(3) 1·299, C(3)–N(4) 1·373, N(4)–C(5) 1·370, and C(5)–N(1) 1·319.