Information card for entry 2211635

Structure parameters

• Chemical name: N-(4-Aminobenzyl)-N,4-dimethylbenzenesulfonamide
• Formula: C15 H18 N2 O2 S
• Calculated formula: C15 H18 N2 O2 S
• SMILES: S(=O)(=O)(N(Cc1ccc(N)cc1)C)c1ccc(cc1)C
• Title of publication: <i>N</i>-(4-Aminobenzyl)-<i>N</i>,4-dimethylbenzenesulfonamide
• Authors of publication: Shi Ming-Wang; Chen Xi-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5885 - o5886
• a: 15.939 ± 0.005 Å
• b: 8.012 ± 0.002 Å
• c: 11.997 ± 0.003 Å
• α: 90°
• β: 105.919 ± 0.005°
• γ: 90°
• Cell volume: 1473.3 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1479
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes