Information card for entry 2207035

Structure parameters

• Chemical name: 4-(3-Methylanilino)pyridine-3-sulfonamide
• Formula: C12 H13 N3 O2 S
• Calculated formula: C12 H13 N3 O2 S
• SMILES: S(=O)(=O)(N)c1cnccc1Nc1cccc(c1)C
• Title of publication: 4-(3-Methylanilino)pyridine-3-sulfonamide
• Authors of publication: Gu-Ping Tang; Jian-Ming Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3140 - o3141
• a: 6.714 ± 0.003 Å
• b: 8.63 ± 0.004 Å
• c: 11.403 ± 0.004 Å
• α: 98.64 ± 0.011°
• β: 102.57 ± 0.02°
• γ: 102.911 ± 0.012°
• Cell volume: 614.7 ± 0.5 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.1796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No