Information card for entry 2218772

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dibenzylmethanesulfonamide
• Formula: C15 H17 N O2 S
• Calculated formula: C15 H17 N O2 S
• SMILES: c1ccccc1CN(Cc1ccccc1)S(=O)(=O)C
• Title of publication: <i>N</i>,<i>N</i>-Dibenzylmethanesulfonamide
• Authors of publication: Datta, Mrityunjoy; Buglass, Alan J.; Hong, Chang Seop; Lim, Jeon Hak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1235
• a: 6.0948 ± 0.0001 Å
• b: 13.4498 ± 0.0004 Å
• c: 17.1293 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.15 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes