Information card for entry 2240806

Structure parameters

• Chemical name: <i>N</i>-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide
• Formula: C16 H17 N O4 S
• Calculated formula: C16 H17 N O4 S
• SMILES: S(=O)(=O)(NCCc1ccc2OCOc2c1)c1ccc(C)cc1
• Title of publication: Cystal structure of <i>N</i>-[2-(benzo[<i>d</i>][1,3]dioxol-5-yl)ethyl]-4-methylbenzenesulfonamide
• Authors of publication: Huang, Ke-Bin; Zhang, Gui-Jie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o452
• a: 12.3265 ± 0.0002 Å
• b: 9.96026 ± 0.00016 Å
• c: 12.7021 ± 0.0003 Å
• α: 90°
• β: 100.598 ± 0.0018°
• γ: 90°
• Cell volume: 1532.9 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0518
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes