Information card for entry 2224411

Structure parameters

• Chemical name: 4-Benzenesulfonamidobenzoic acid
• Formula: C13 H11 N O4 S
• Calculated formula: C13 H11 N O4 S
• SMILES: S(=O)(=O)(Nc1ccc(cc1)C(=O)O)c1ccccc1
• Title of publication: 4-Benzenesulfonamidobenzoic acid
• Authors of publication: Sharif, Hafiz Muhammad Adeel; Dong, Gui-Ying; Arshad, Muhammad Nadeem; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3086
• a: 5.205 ± 0.0003 Å
• b: 37.726 ± 0.002 Å
• c: 7.3781 ± 0.0004 Å
• α: 90°
• β: 117.51 ± 0.003°
• γ: 90°
• Cell volume: 1284.98 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes