Bonding in 1,2,4-triazoles. Part II. Crystal structure of 3,4,5-triamino-1,2,4-triazole hydrobromide (guanazine hydrobromide)

Abstract

The crystal structure of the title compound was determined from diffractometer data by Patterson and Fourier methods. Crystals are monoclinic, space group C2/c with Z= 8 in a unit cell of dimension: a= 686·9(1), b= 1069·3(2), c= 1855·0(2) pm, β= 95·66(3)°. The structure was refined by least-squares to an R 0·036 for 915 observed reflections. The molecule is planar. Interatomic distances (each ±0·5 pm): N–N(ring) 140·8, N–N(side-chain) 139·3, C–N(ring) 129·8 and 131·1, and C–N(side-chain) 134·8 and 131·2.