Information card for entry 2009957

Structure parameters

• Common name: N-saccharinperpropanoic acid
• Chemical name: 3-oxo-1,2-benzisothiazole-2(3H)-perpropanoic acid 1,1-dioxide
• Formula: C10 H9 N O6 S
• Calculated formula: C10 H5 N O6 S
• Title of publication: Two <i>N</i>-saccharin peracids
• Authors of publication: Feeder, N.; Jones, W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1347 - 1349
• a: 13.659 ± 0.003 Å
• b: 6.936 ± 0.001 Å
• c: 11.98 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1135 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections: 0.2373
• Weighted residual factors for significantly intense reflections: 0.2208
• Goodness-of-fit parameter for all reflections: 1.097
• Goodness-of-fit parameter for significantly intense reflections: 1.343
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No