Information card for entry 2007440

Structure parameters

• Chemical name: 2-anilinyl-4-toluenesulfonate
• Formula: C13 H13 N O3 S
• Calculated formula: C13 H13 N O3 S
• SMILES: S(=O)(=O)(Oc1cccc(N)c1)c1ccc(cc1)C
• Title of publication: <i>m</i>-(<i>p</i>-Tolylsulfonyloxy)aniline
• Authors of publication: Shyamaprosad Goswami; Ajit Kumar Mahapatra; Gur Dayal Nigam; Kandasamy Chinnakali; Ibrahim Abdul Razak; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 954 - 955
• a: 9.9807 ± 0.0007 Å
• b: 7.5585 ± 0.0006 Å
• c: 17.0244 ± 0.0012 Å
• α: 90°
• β: 90.196 ± 0.007°
• γ: 90°
• Cell volume: 1284.3 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.107
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for all reflections: 0.901
• Goodness-of-fit parameter for significantly intense reflections: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No