Information card for entry 2223303

Structure parameters

• Common name: 2-[(Methylsulfonyl)amino]benzoic acid
• Chemical name: 2-[(Methylsulfonyl)amino]benzoic acid
• Formula: C8 H9 N O4 S
• Calculated formula: C8 H9 N O4 S
• SMILES: S(=O)(=O)(Nc1c(cccc1)C(=O)O)C
• Title of publication: 2-Methanesulfonamidobenzoic acid
• Authors of publication: Shafiq, Muhammad; Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Arshad, Muhammad Nadeem; Ahmad, Imtiaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2453
• a: 5.2001 ± 0.0002 Å
• b: 8.612 ± 0.0004 Å
• c: 11.2314 ± 0.0005 Å
• α: 72.675 ± 0.003°
• β: 84.155 ± 0.003°
• γ: 86.846 ± 0.003°
• Cell volume: 477.5 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.093
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1023
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes