Information card for entry 2223780

Structure parameters

• Common name: 4-Methyl-<i>N</i>-(2-oxo-1-phenylethyl)benzenesulfonamide
• Chemical name: 2-(4-Methylbenzenesulfonamido)-2-phenylacetic acid
• Formula: C15 H15 N O4 S
• Calculated formula: C15 H15 N O4 S
• SMILES: S(=O)(=O)(N[C@H](c1ccccc1)C(=O)O)c1ccc(cc1)C
• Title of publication: 2-(4-Methylbenzenesulfonamido)-2-phenylacetic acid
• Authors of publication: Mariam, Irfana; Akkurt, Mehmet; Sharif, Shahzad; Akhtar, Noreen; Khan, Islam Ullah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2797
• a: 5.6592 ± 0.0012 Å
• b: 11.208 ± 0.002 Å
• c: 23.342 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.183
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes