Information card for entry 2225461

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Formula: C14 H15 N O2 S
• Calculated formula: C14 H15 N O2 S
• SMILES: S(=O)(=O)(Nc1ccc(C)cc1)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-(4-methylphenyl)benzenesulfonamide
• Authors of publication: Khan, Islam Ullah; Sharif, Shahzad; Akkurt, Mehmet; Sajjad, Arif; Ahmad, Jamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o786
• a: 8.6419 ± 0.0008 Å
• b: 8.8016 ± 0.0008 Å
• c: 9.2509 ± 0.0007 Å
• α: 88.187 ± 0.004°
• β: 77.01 ± 0.004°
• γ: 74.812 ± 0.004°
• Cell volume: 661.41 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes