Information card for entry 2208662

Structure parameters

• Chemical name: ammonium 4-chloropyridine-3-sulfonate
• Formula: C5 H7 Cl N2 O3 S
• Calculated formula: C5 H7 Cl N2 O3 S
• SMILES: Clc1c(S(=O)(=O)[O-])cncc1.[NH4+]
• Title of publication: Ammonium 4-chloropyridine-3-sulfonate
• Authors of publication: Tie-Han Li; Xin-Biao Mao; Qing-Bao Song; Chun-An Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1488 - o1489
• a: 8.3501 ± 0.0006 Å
• b: 7.6684 ± 0.0006 Å
• c: 13.3162 ± 0.001 Å
• α: 90°
• β: 97.617 ± 0.001°
• γ: 90°
• Cell volume: 845.14 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes