Crystal and molecular structure of thiocarbonohydrazide sulphate

Abstract

Crystals of the title compound are orthorhombic, space group Pbca, with Z= 8 in a unit cell of dimensions: a= 10·80(1), b= 15·44(2), c= 8·26(1)Å. The structure has been solved from diffractometer data by three-dimensional Patterson and Fourier methods, and refined by full matrix least-squares methods to R 0·047 for 1250 observed reflections. The structure consists of diprotonated cations, in a cis,cis-conformation, with tetrahedral sulphate anions. The distances and angles are comparable with those presented by thiocarbonohydrazide (I) in different conformations and crystals. Rotation angles of the two –[graphic omitted]H₃ around N–N are somewhat different from one another. The whole cation possesses practically a binary axis of symmetry, through C–S. The –NH– and –[graphic omitted]H₃ groups form several N–H ⋯ O hydrogen bonds with surrounding anions. The i.r. spectrum of the compound is compared with that of the simple molecule.