Information card for entry 2227314

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate
• Formula: C12 H11 Cl N2 O6 S
• Calculated formula: C12 H11 Cl N2 O6 S
• Title of publication: 2-Amino-5-chloropyridinium 3-carboxy-4-hydroxybenzenesulfonate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2323 - o2324
• a: 7.9455 ± 0.0003 Å
• b: 10.9173 ± 0.0005 Å
• c: 16.3535 ± 0.0007 Å
• α: 85.223 ± 0.002°
• β: 83.327 ± 0.002°
• γ: 85.842 ± 0.002°
• Cell volume: 1401.22 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes