Information card for entry 2214679

Structure parameters

• Chemical name: 4-Nitro-N-(4-pyridyl)benzenesulfonamide
• Formula: C11 H9 N3 O4 S
• Calculated formula: C11 H9 N3 O4 S
• SMILES: S(=O)(=O)(N=C1C=CNC=C1)c1ccc(N(=O)=O)cc1
• Title of publication: 4-Nitro-<i>N</i>-(4-pyridyl)benzenesulfonamide
• Authors of publication: Yu, Hai-Jun; Li, Jiang-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3399 - o3399
• a: 13.978 ± 0.003 Å
• b: 7.5376 ± 0.0015 Å
• c: 12.176 ± 0.002 Å
• α: 90°
• β: 115.34 ± 0.03°
• γ: 90°
• Cell volume: 1159.4 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes