Information card for entry 2221058

Structure parameters

• Chemical name: 4-Chloro-2-methyl-<i>N</i>-phenylbenzenesulfonamide
• Formula: C13 H12 Cl N O2 S
• Calculated formula: C13 H12 Cl N O2 S
• SMILES: Clc1ccc(c(c1)C)S(=O)(=O)Nc1ccccc1
• Title of publication: 4-Chloro-2-methyl-<i>N</i>-phenylbenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Nirmala, P. G.; Babitha, K. S.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o476
• a: 8.609 ± 0.001 Å
• b: 11.143 ± 0.001 Å
• c: 14.726 ± 0.002 Å
• α: 98.618 ± 0.007°
• β: 90.951 ± 0.008°
• γ: 105.79 ± 0.01°
• Cell volume: 1341.6 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes