Information card for entry 2220319

Structure parameters

• Chemical name: 4-(2-Nitrobenzenesulfonamido)pyridinium nitrate
• Formula: C11 H10 N4 O7 S
• Calculated formula: C11 H10 N4 O7 S
• SMILES: S(=O)(=O)(Nc1cc[nH+]cc1)c1ccccc1N(=O)=O.N(=O)(=O)[O-]
• Title of publication: 4-(2-Nitrobenzenesulfonamido)pyridinium nitrate
• Authors of publication: Zhao, Liang; Yu, Qi-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2281
• a: 14.716 ± 0.003 Å
• b: 8.6671 ± 0.0017 Å
• c: 21.941 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.5 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes