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

Dedicated to Professor Gerhard Müller on the occasion of his 60th birthday The title compound, C10H20N6 (2), was prepared from N,N′,N′′-triaminoguanidinium chloride. Solventand 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.