Information card for entry 2223191

Structure parameters

• Common name: <i>N</i>-acetonylsaccharin
• Chemical name: 2-(2-oxopropyl)-1,2-benzothiazol-3(2<i>H</i>)-one 1,1-dioxide
• Formula: C10 H9 N O4 S
• Calculated formula: C10 H9 N O4 S
• SMILES: S1(=O)(=O)N(C(=O)c2ccccc12)CC(=O)C
• Title of publication: <i>N</i>-Acetonylsaccharin
• Authors of publication: Ahmad, Matloob; Siddiqui, Hamid Latif; Azam, Muhammad; Siddiqui, Waseeq Ahmad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2185
• a: 7.475 ± 0.003 Å
• b: 8.975 ± 0.004 Å
• c: 15.923 ± 0.007 Å
• α: 90°
• β: 101.028 ± 0.018°
• γ: 90°
• Cell volume: 1048.5 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes