Information card for entry 2007628

Structure parameters

• Formula: C13 H13 N O3 S
• Calculated formula: C13 H13 N O3 S
• SMILES: S(=O)(=O)(Nc1cccc(O)c1)c1ccc(cc1)C
• Title of publication: <i>N</i>-(3-Hydroxyphenyl)-<i>p</i>-toluenesulfonamide
• Authors of publication: Goswami, Shyamaprosad; Ajit Kumar Mahapatra; Gur Dayal Nigam; Chinnakali, Kandasamy; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1301 - 1302
• a: 23.9096 ± 0.0007 Å
• b: 9.5192 ± 0.0003 Å
• c: 11.9629 ± 0.0003 Å
• α: 90°
• β: 112.136 ± 0.001°
• γ: 90°
• Cell volume: 2522.07 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.102
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 1.058
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No