Information card for entry 2214165

Structure parameters

• Common name: p-Hydroxyanilinium bisulfate
• Chemical name: 3-Hydroxyanilinium hydrogensulfate
• Formula: C6 H9 N O5 S
• Calculated formula: C6 H9 N O5 S
• SMILES: c1(ccc(cc1)O)[NH3+].O=S(=O)(O)[O-]
• Title of publication: 3-Hydroxyanilinium hydrogensulfate
• Authors of publication: Nourredine Benali-Cherif; Alima Kateb; Houda Boussekine; Zina Boutobba; Amel Messai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3251 - o3251
• a: 7.3142 ± 0.0003 Å
• b: 5.8612 ± 0.0002 Å
• c: 9.8969 ± 0.0002 Å
• α: 90°
• β: 98.829 ± 0.002°
• γ: 90°
• Cell volume: 419.25 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes