Information card for entry 2221367

Structure parameters

• Chemical name: 5-Benzenesulfonamido-2-chlorobenzoic acid
• Formula: C13 H10 Cl N O4 S
• Calculated formula: C13 H10 Cl N O4 S
• SMILES: Clc1c(cc(NS(=O)(=O)c2ccccc2)cc1)C(=O)O
• Title of publication: 5-Benzenesulfonamido-2-chlorobenzoic acid
• Authors of publication: Arshad, Muhammad Nadeem; Tahir, M. Nawaz; Khan, Islam Ullah; Shafiq, Muhammad; Sharif, Hafiz Muhammad Adeel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o831
• a: 11.7139 ± 0.0004 Å
• b: 5.3957 ± 0.0002 Å
• c: 20.7565 ± 0.0008 Å
• α: 90°
• β: 91.483 ± 0.002°
• γ: 90°
• Cell volume: 1311.47 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0567
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes