Crystal and molecular structure of thiosemicarbazide hydrochloride

Abstract

Crystals of the title compound are orthorhombic with a= 11.116(11), b= 12.043(9), c= 7.646(5)Å, space group Pbca, Z= 8. The structure was solved from three-dimensional diffractometer data by Patterson and Fourier methods and refined by block-diagonal least-squares to R 0.029 for 1029 observed reflections. The structure consists of protonated cations in the cis-conformation, i.e. with the –NH–NH₂ group bent towards the CS bond, and of chloride anions. Packing is determined by hydrogen-bonds formed by the ^–NH₂⁺, ^–NH₂, and NH groups with Cl- and S.