Synthesis and characterization of a new monophosphate [2,5-(CH3)2C6H3NH3]H2PO4

Chemical preparation, calorimetric studies, crystal structure and spectroscopic investigations are given for a new noncentrosymmetric organic cation monophosphate [2,5-(CH3)(2)C6H3NH3]H2PO4. This compound is orthorhombic P2(1)2(1)2(1) with the following unit-cell parameters: a = 5.872(4), b = 20.984(3), c = 8.465(1) Angstrom, Z = 4, V = 1043.0(5) Angstrom(3) and D-x = 1.396 g cm(-3). Crystal structure has been solved and refined to R = 0.048 using 2526 independent reflections. Structure can be described as an inorganic layer parallel to (a, b) planes between which organic groups [2,5-(CH3)(2)C6H3NH3](+) are located. Multiple hydrogen bonds connecting the different entities of compound thrust upon three-dimensional network a noncentrosymmetric configuration. (C) 2004 Elsevier Ltd. All rights reserved.