Information card for entry 2235931

Structure parameters

• Chemical name: 4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid
• Formula: C12 H16 N2 O6 S
• Calculated formula: C12 H16 N2 O6 S
• Title of publication: 4-Methyl-2-(2-nitrobenzenesulfonamido)pentanoic acid
• Authors of publication: Arshad, Muhammad Nadeem; Danish, Muhammad; Tahir, Muhammad Nawaz; Khalid, Savera; Asiri, Abdullah M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2573
• a: 6.9593 ± 0.0005 Å
• b: 10.756 ± 0.0008 Å
• c: 20.8431 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1560.19 ± 0.19 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: 0.0667
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes