Information card for entry 2230748

Structure parameters

• Chemical name: 4-(4-Methoxybenzenesulfonamido)benzoic acid
• Formula: C14 H13 N O5 S
• Calculated formula: C14 H13 N O5 S
• SMILES: COc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
• Title of publication: 4-(4-Methoxybenzenesulfonamido)benzoic acid
• Authors of publication: Khan, Islam Ullah; Mustafa, Ghulam; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1857
• a: 8.698 ± 0.0003 Å
• b: 21.7471 ± 0.0008 Å
• c: 14.5824 ± 0.0006 Å
• α: 90°
• β: 95.153 ± 0.002°
• γ: 90°
• Cell volume: 2747.2 ± 0.18 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes