Information card for entry 2221699

Structure parameters

• Chemical name: 2-Methylanilinium dihydrogen phosphate‒phosphoric acid (1/1)
• Formula: C7 H15 N O8 P2
• Calculated formula: C7 H15 N O8 P2
• SMILES: P(=O)(O)(O)[O-].P(=O)(O)(O)O.[NH3+]c1c(cccc1)C
• Title of publication: 2-Methylanilinium dihydrogen phosphate‒phosphoric acid (1/1)
• Authors of publication: Khemiri, Hamed; Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1152
• a: 10.8769 ± 0.001 Å
• b: 7.938 ± 0.004 Å
• c: 15.302 ± 0.003 Å
• α: 90°
• β: 91.57 ± 0.02°
• γ: 90°
• Cell volume: 1320.7 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes