Information card for entry 2223428

Structure parameters

• Common name: 1-Ammonionaphthalene-2-sulfonate
• Chemical name: 1-Ammonionaphthalene-2-sulfonate
• Formula: C10 H9 N O3 S
• Calculated formula: C10 H9 N O3 S
• SMILES: S(=O)(=O)([O-])c1c([NH3+])c2ccccc2cc1
• Title of publication: 1-Ammonionaphthalene-2-sulfonate
• Authors of publication: Mahmood, Ayyaz; Rashid, Ayoub; Arshad, Muhammad Nadeem; Sharif, Hafiz Muhammad Adeel; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2505
• a: 9.4337 ± 0.0003 Å
• b: 10.6359 ± 0.0004 Å
• c: 18.6775 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.02 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes