4-Dimethylaminopyridinium dihydrogenmonophosphate (C7H11N2)H2PO4: Synthesis, Structural, 31P, 13C NMR and Thermal Investigations

Abstract

Chemical preparation, crystal structure, NMR spectroscopy and thermal investigations of the 4-dimethylaminopyridinium dihydrogenmonophosphate (C 7 H 11 N 2 ) H 2 PO 4 are studied. This compound crystallizes in the triclinic system, with the space group P 1 À and the following parameters: a = 7.8046 (3) Å , b = 8.0826(3) Å , c = 8.42 62(3) Å , a = 98.497(3)°, b = 104.689(3)°, c = 99.428(3)°, V = 497.14(3) Å 3 , Z = 2.The structural arrangement can be described as inorganic chains, ½H 2 PO 4 nÀ n , parallel to the a-direction, the organic cations are linked to these chains by hydrogen bonds N-HÁÁÁO to form a three-dimensional infinite network.

Investigation of Hybrid Organic-Inorganic Dihydrogen Phosphate by Hirshfeld Surface Analysis and Quantum Chemical Analysis

“…The single crystal XRD investigation revealed that 10-CN@DP corresponds to the monoclinic system having space group P-1, the lattice parameter values a, b, c , and the volume of the unit cell, which are enumerated in Table 1, represent no modulation in crystal structure and are in accordance with literature data. 14 The X-ray geometry of the monohydrogenphosphate anion HPO 4 2-, differs slightly from the optimized results (Fig. 1).…”