Information card for entry 2207877

Structure parameters

• Chemical name: N-(4-Chlorophenyl)benzenesulfonamide
• Formula: C12 H10 Cl N O2 S
• Calculated formula: C12 H10 Cl N O2 S
• SMILES: S(=O)(=O)(Nc1ccc(Cl)cc1)c1ccccc1
• Title of publication: <i>N</i>-(4-Chlorophenyl)benzenesulfonamide
• Authors of publication: Perlovich, German L.; Tkachev, Valery V.; Schaper, Klaus-Jürgen; Raevsky, Oleg A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o376 - o378
• a: 10.84 ± 0.002 Å
• b: 9.74 ± 0.001 Å
• c: 23.596 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2491.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes