Bonding in 1,2,4-triazoles. Part III. Crystal structure of 4-amino-3-(β-benzoylhydrazino)-5-mercapto-1,2,4-triazole
Abstract
The crystal structure of the title compound (II), has been determined from three-dimensional diffractometer data by the symbolic addition procedure. Crystals are monoclinic, space group C2/c, with Z= 8 in a unit cell of dimensions: a= 1812·5(9), b= 606·9(2), c= 2063·8(9) pm, β= 104·875(8)°. The structure was refined by least squares to R 0·049 for 960 observed reflections. The triazole ring is planar. Interatomic distances (pm)(each ±0·3) C–S 166·8, N–N(ring) 139·0, side-chain N–N(hydrazino) 138·3, side-chain N–N(amino) 139·9, N(2)–C(3) 131·7, C(3)–N(4) 134·5, N(4)–C(5) 136·8, C(5)–N(1) 133·3.