Information card for entry 2220034

Structure parameters

• Chemical name: 4-(4-Nitrobenzenesulfonamido)pyridinium chloride
• Formula: C11 H10 Cl N3 O4 S
• Calculated formula: C11 H10 Cl N3 O4 S
• SMILES: S(=O)(=O)(Nc1cc[nH+]cc1)c1ccc(N(=O)=O)cc1.[Cl-]
• Title of publication: 4-(4-Nitrobenzenesulfonamido)pyridinium chloride
• Authors of publication: Zhang, Hao; Ma, Yu-Xiang; Zhou, Lin; Mo, Hai-Zhen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2091
• a: 37.942 ± 0.008 Å
• b: 5.2446 ± 0.001 Å
• c: 13.713 ± 0.003 Å
• α: 90°
• β: 107.77 ± 0.03°
• γ: 90°
• Cell volume: 2598.6 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes