Information card for entry 2242570

Structure parameters

• Chemical name: <i>N</i>-Allyl-4-methylbenzenesulfonamide
• Formula: C10 H13 N O2 S
• Calculated formula: C10 H13 N O2 S
• SMILES: S(=O)(=O)(NCC=C)c1ccc(cc1)C
• Title of publication: Crystal structure of <i>N</i>-allyl-4-methylbenzenesulfonamide
• Authors of publication: Patel, Zeel S.; Stevens, Amanda C.; Bookout, Erin C.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 8
• Pages of publication: 1126 - 1129
• a: 7.5538 ± 0.001 Å
• b: 8.2591 ± 0.0011 Å
• c: 9.7145 ± 0.0013 Å
• α: 85.9415 ± 0.0016°
• β: 72.9167 ± 0.0016°
• γ: 67.6989 ± 0.0015°
• Cell volume: 535.42 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes