Synthesis and crystal structure of (1-C10H7-NH3)(6)P6O18 center dot 2H(2)O

Preparation and complete structural characterization by X-ray diffraction, infrared (IR) spectroscopy, and nuclear magnetic resonance (NMR) spectrosco py are reported for the new cyclohexaphosphate (1-C10H7-NH3)(6)P6O18. 2H(2) O. This compound is monoclinic, P2(1)/c, with Z = 2 and the following unit- cell dimensions: a = 17.414(3), b = 11.426(2), c 15.411(4) Angstrom, and be ta = 104.34(2)degrees. The crystal structure has been solved and refined do wn to R = 0.029, using 2906 independent reflections. The atomic arrangement can be described as layer organization. Layers built by P,O,, ring anions and layers including the organic entities alternate perpendicular to the a axis. Geometrical characteristics of hydrogen bonds are described. (C) 2001 Elsevier Science Ltd. All rights reserved.