Information card for entry 2213271

Structure parameters

• Common name: p-Carboxyphenylammonium bisulfate
• Chemical name: 4-Carboxyanilinium hydrogensulfate
• Formula: C7 H9 N O6 S
• Calculated formula: C7 H9 N O6 S
• SMILES: S(=O)(=O)(O)[O-].OC(=O)c1ccc([NH3+])cc1
• Title of publication: 4-Carboxyanilinium hydrogensulfate
• Authors of publication: Nourredine Benali-Cherif; Amani Direm; Fatima Allouche; Lila Boukli-H-Benmenni; Kawther Soudani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2054 - o2056
• a: 5.2058 ± 0.0006 Å
• b: 7.577 ± 0.0007 Å
• c: 11.837 ± 0.002 Å
• α: 93.356 ± 0.007°
• β: 95.187 ± 0.007°
• γ: 92.785 ± 0.006°
• Cell volume: 463.51 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes