Information card for entry 2231299

Structure parameters

• Chemical name: <i>N</i>-Benzyl-4-methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Formula: C21 H21 N O2 S
• Calculated formula: C21 H21 N O2 S
• SMILES: S(=O)(=O)(N(c1ccc(cc1)C)Cc1ccccc1)c1ccc(cc1)C
• Title of publication: <i>N</i>-Benzyl-4-methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Authors of publication: Faryal, Komal; Farrukh, Muhammad Akhyar; Qureshi, Fahim Ashraf; Ahmad, Saba; Adnan, Ahmad; Akkurt, Mehmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2100
• a: 9.7089 ± 0.0006 Å
• b: 11.5973 ± 0.0005 Å
• c: 16.7661 ± 0.0009 Å
• α: 90°
• β: 97.691 ± 0.002°
• γ: 90°
• Cell volume: 1870.83 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes