Information card for entry 2230884

Structure parameters

• Chemical name: 2-(4-Acetamidobenzenesulfonamido)benzoic acid
• Formula: C15 H14 N2 O5 S
• Calculated formula: C15 H14 N2 O5 S
• SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)O
• Title of publication: 2-(4-Acetamidobenzenesulfonamido)benzoic acid
• Authors of publication: Sharif, Shahzad; Khan, Islam Ullah; Mahmood, Tariq; Kang, Sung Kwon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1570
• a: 9.3721 ± 0.0019 Å
• b: 13.036 ± 0.003 Å
• c: 13.132 ± 0.003 Å
• α: 90°
• β: 109.47 ± 0.03°
• γ: 90°
• Cell volume: 1512.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes