Information card for entry 2000644

Structure parameters

• Chemical name: 1-Benzenesulfonyl-3-acetoxy-1,3-dihydroindole-2-one
• Formula: C17 H15 N O5 S
• Calculated formula: C17 H15 N O5 S
• SMILES: N1(C(=O)C(c2ccccc12)(C)OC(=O)C)S(=O)(=O)c1ccccc1
• Title of publication: 1-Benzenesulfonyl-3-methyl-2-oxo-2,3-dihydroindol-3-yl acetate
• Authors of publication: Grossie, D. A.; Ketcha, D. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 9
• Pages of publication: 1718 - 1720
• a: 13.452 ± 0.002 Å
• b: 7.952 ± 0.001 Å
• c: 15.671 ± 0.001 Å
• α: 90°
• β: 106.97 ± 0.01°
• γ: 90°
• Cell volume: 1603.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.052
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for all reflections: 1.179
• Goodness-of-fit parameter for significantly intense reflections: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No