Information card for entry 2217487

Structure parameters

• Chemical name: 3-Chloro-2-methylanilinium dihydrogenphosphate
• Formula: C7 H11 Cl N O4 P
• Calculated formula: C7 H11 Cl N O4 P
• SMILES: P(=O)(O)(O)[O-].Clc1c(c([NH3+])ccc1)C
• Title of publication: 3-Chloro-2-methylanilinium dihydrogenphosphate
• Authors of publication: Khemiri, Hamed; Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o526 - o526
• a: 16.942 ± 0.006 Å
• b: 8.272 ± 0.002 Å
• c: 7.979 ± 0.007 Å
• α: 90°
• β: 100.11 ± 0.05°
• γ: 90°
• Cell volume: 1100.8 ± 1.1 ų
• Cell temperature: 292 K
• Ambient diffraction temperature: 292 K
• Number of distinct elements: 6
• 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: 0.0486
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes