Information card for entry 2220268

Structure parameters

• Chemical name: 2-(Benzenesulfonamido)acetic acid
• Formula: C8 H9 N O4 S
• Calculated formula: C8 H9 N O4 S
• SMILES: S(=O)(=O)(NCC(=O)O)c1ccccc1
• Title of publication: 2-(Benzenesulfonamido)acetic acid
• Authors of publication: Arshad, Muhammad Nadeem; Khan, Islam Ullah; Zia-ur-Rehman, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2283 - o2284
• a: 8.5181 ± 0.0003 Å
• b: 11.1302 ± 0.0004 Å
• c: 10.6414 ± 0.0004 Å
• α: 90°
• β: 112.6 ± 0.002°
• γ: 90°
• Cell volume: 931.42 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1161
• 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