Information card for entry 2225876

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Dibenzyl-4-methylbenzenesulfonamide
• Formula: C21 H21 N O2 S
• Calculated formula: C21 H21 N O2 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>-Dibenzyl-4-methylbenzenesulfonamide
• Authors of publication: Khan, Islam Ullah; Ahmad, Waqar; Sharif, Shahzad; Ali, Salamat; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1218
• a: 27.7716 ± 0.0015 Å
• b: 5.9523 ± 0.0003 Å
• c: 22.314 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3688.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.157
• Weighted residual factors for all reflections included in the refinement: 0.232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes