Information card for entry 2008316

Structure parameters

• Chemical name: 4-imino(dimethylamino)benzenesulfonic acid
• Formula: C9 H14 N2 O4 S
• Calculated formula: C9 H14 N2 O4 S
• SMILES: S(=O)(=O)([O-])c1ccc([NH+]=CN(C)C)cc1.O
• Title of publication: A Schiff base formed from sulfanilic acid and dimethylformamide
• Authors of publication: Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 697 - 698
• a: 5.8512 ± 0.0002 Å
• b: 13.041 ± 0.0006 Å
• c: 14.8412 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1132.47 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes