Information card for entry 2213583

Structure parameters

• Common name: p-Carboxyanilinium Dihydrogenmonophosphate
• Chemical name: 4-carboxyanilinium dihydrogenphosphate
• Formula: C7 H10 N O6 P
• Calculated formula: C7 H10 N O6 P
• SMILES: C(=O)(c1ccc(cc1)[NH3+])O.O=P([O-])(O)O
• Title of publication: Hydrogen bonding in 4-carboxyanilinium dihydrogenphosphate
• Authors of publication: Nourredine Benali-Cherif; Amani Direm; Fatima Allouche; Kawther Soudani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2272 - o2274
• a: 6.3368 ± 0.0002 Å
• b: 22.8812 ± 0.0007 Å
• c: 7.3843 ± 0.0002 Å
• α: 90°
• β: 111.101 ± 0.002°
• γ: 90°
• Cell volume: 998.88 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes