Information card for entry 2215120

Structure parameters

• Chemical name: 4-(2-Nitrobenzenesulfonamido)pyridinium chloride hemihydrate
• Formula: C11 H11 Cl N3 O4.5 S
• Calculated formula: C11 H11 Cl N3 O4.5 S
• Title of publication: 4-(2-Nitrobenzenesulfonamido)pyridinium chloride hemihydrate
• 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: 9
• Pages of publication: o3766 - o3766
• a: 8.525 ± 0.0009 Å
• b: 23.686 ± 0.003 Å
• c: 14.0227 ± 0.0015 Å
• α: 90°
• β: 90.533 ± 0.002°
• γ: 90°
• Cell volume: 2831.4 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes