Information card for entry 2222005

Structure parameters

• Chemical name: 2-Benzenesulfonamidobenzoic acid
• Formula: C13 H11 N O4 S
• Calculated formula: C13 H11 N O4 S
• SMILES: S(=O)(=O)(Nc1c(cccc1)C(=O)O)c1ccccc1
• Title of publication: 2-Benzenesulfonamidobenzoic acid
• Authors of publication: Asiri, Abdullah Mohamed; Akkurt, Mehmet; Khan, Salman A.; Arshad, Muhammad Nadeem; Khan, Islam Ullah; Sharif, Hafiz Muhammad Adeel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1246 - o1247
• a: 27.271 ± 0.003 Å
• b: 8.7223 ± 0.0009 Å
• c: 11.0077 ± 0.001 Å
• α: 90°
• β: 106.149 ± 0.003°
• γ: 90°
• Cell volume: 2515 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes