Abstract
Chemical preparation, calorimetric studies, crystal structure and spectroscopic investigations are given for a new noncentrosymmetric organic cation monophosphate [2,5-(CH 3) 2C 6H 3NH 3]H 2PO 4. This compound is orthorhombic P2 12 12 1 with the following unit-cell parameters: a=5.872(4), b=20.984(3), c=8.465(1) Å, Z=4, V=1043.0(5) Å 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-(CH 3) 2C 6H 3NH 3] + are located. Multiple hydrogen bonds connecting the different entities of compound thrust upon three-dimensional network a noncentrosymmetric configuration.
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