Crystal structure and spectroscopic studies of a new organic monohydrogenmonophosphate dihydrate

✍ Scribed by A. Oueslati; A. Selmi; C. Ben Nasr

• Publisher: John Wiley and Sons
• Year: 2008
• Tongue: English
• Weight: 366 KB
• Volume: 43
• Category: Article
• ISSN: 0232-1300
• DOI: 10.1002/crat.200710922

✦ Synopsis

Abstract

The crystal synthesis and structure of a new organic monohydrogenmophosphate (3,4‐Cl~2~‐CH~2~C~6~H~3~NH~3~)~2~HPO~4~·2H~2~O are reported. This compound crystallizes in the monoclinic P2~1~/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) Å^3^, 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 HPO~4~^‐^ anions and the H~2~O 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 (^13^C, ^31^P) MAS NMR and IR spectroscopies is also reported. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)