Crystal structure and spectroscopic studies of a new organic monohydrogenmonophosphate dihydrate by A. Oueslati, A. Selmi, and C. Ben Nasr

Crystal Research and Technology

Cryst. Res. Technol. 43, 108 (2008) - Abstract -

Crystal structure and spectroscopic studies of a new organic monohydrogenmonophosphate dihydrate

A. Oueslati, A. Selmi, and C. Ben Nasr

Laboratoire de chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna, Tunisie

Keywords	organic phosphate, crystal structure, MAS NMR spectroscopy
PACS	61.66.Hq
DOI	10.1002/crat.200710922

The crystal synthesis and structure of a new organic monohydrogenmophosphate (3,4-Cl₂-CH₂C₆H₃NH₃)₂HPO₄.2H₂O are reported. This compound crystallizes in the monoclinic P2₁/n with a = 9.081(7) Å, b = 6.501(5) Å, c = 35.423(12) Å, β = 91.09(5)°, V = 2090.9(2) Å³, and Z = 4. Crystal structure was solved and refined to R = 0.042, using 2543 independent reflections. It can be described by inorganic layers, including the HPO₄^- anions and the H₂O molecules, parallel to (a, b) planes and situated at z = 0 and z = 1/2. The interlayer spacing is occupied by the organic molecules which perform different interactions around the 3D network cohesion. A characterization of this compound by solid-state (¹³C, ³¹P) MAS NMR and IR spectroscopies is also reported.

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