Information card for entry 2230057

Structure parameters

• Chemical name: 4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Formula: C17 H20 N2 O5 S
• Calculated formula: C17 H20 N2 O5 S
• SMILES: c1(ccc(cc1)C(=O)O)NS(=O)(=O)c1ccc(cc1)C.C(=O)N(C)C
• Title of publication: 4-(4-Methylbenzenesulfonamido)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide monosolvate
• Authors of publication: Huang, Miao-Ling; Lin, Zhi-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1062
• a: 8.0953 ± 0.001 Å
• b: 25.151 ± 0.003 Å
• c: 8.884 ± 0.0011 Å
• α: 90°
• β: 98.01 ± 0.001°
• γ: 90°
• Cell volume: 1791.2 ± 0.4 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: 0.0546
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes