Information card for entry 8101716

Structure parameters

• Common name: 2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid
• Formula: C9 H19 N O8 P2
• Calculated formula: C9 H19 N O8 P2
• SMILES: P(=O)(O)(O)[O-].P(=O)(O)(O)O.[NH3+]c1c(cccc1C)CC
• Title of publication: Crystal structure of 2-ethyl-6-methylanilinium dihydrogenphosphate phosphoric acid, (C~9~H~14~N)H~2~PO~4~ · H~3~PO~4~
• Authors of publication: Belam, W.; Khedhiri, L.; Daoud, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 147 - 148
• a: 24.348 ± 0.004 Å
• b: 8.088 ± 0.002 Å
• c: 7.623 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1501.2 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections: 1.325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.32
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No