Synthesis and crystal structure of (1-C10H7–NH3)6P6O18·2H2O

Preparation and complete structural characterization by X-ray diffraction, infrared (IR) spectroscopy, and nuclear magnetic resonance (NMR) spectroscopy are reported for the new cyclohexaphosphate (1-C10H7–NH3)6P6O18·2H2O. This compound is monoclinic, P21/c, with Z = 2 and the following unit-cell dimensions: a = 17.414(3), b = 11.426(2), c = 15.411(4) Å, and β = 104.34(2)°. The crystal structure has been solved and refined down to R = 0.029, using 2906 independent reflections. The atomic arrangement can be described as layer organization. Layers built by P6O18 ring anions and layers including the organic entities alternate perpendicular to the a axis. Geometrical characteristics of hydrogen bonds are described.