Derivatives of the Triaminoguanidinium Ion, 2. Prototropic Tautomerism, Crystal and Molecular Structure of N,N´,N´´-Tris(propan- 2-iminyl)guanidine [1, 2

Abstract

The title compound, C10H20N6 (2), was prepared from N,N´,N´´-triaminoguanidinium chloride. Solvent- and temperature-dependent 1H NMR spectra indicating prototropic tautomerism were observed in solution. The crystal and molecular structure was determined by X-ray diffraction analysis. The compound crystallizes in the hexagonal space group P63/m. The molecules lie on crystallographic mirror planes parallel to the a,b plane, which are separated from each other by 3:37 Å . The threefold crystallographic symmetry of the molecules is due to disorder with positional averaging of individual molecules.