Information card for entry 2238807

Structure parameters

• Chemical name: <i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide
• Formula: C14 H13 N O4 S
• Calculated formula: C14 H13 N O4 S
• SMILES: O=S(=O)(c1ccccc1)NCc1ccc2c(c1)OCO2
• Title of publication: <i>N</i>-[(1,3-Benzodioxol-5-yl)methyl]benzenesulfonamide: an analogue of capsaicin
• Authors of publication: Maganhi, Stella H.; Tavares, Maurício T.; Damião, Mariana C. F. C. B.; Parise Filho, Roberto
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: o1700
• a: 18.0158 ± 0.0004 Å
• b: 5.9346 ± 0.0001 Å
• c: 25.548 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2731.5 ± 0.11 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No