Information card for entry 2020643

Structure parameters

• Chemical name: 2-Amino-4-methyl-3-nitropyridinium hydrogen sulfate
• Formula: C6 H9 N3 O6 S
• Calculated formula: C6 H9 N3 O6 S
• Title of publication: Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives
• Authors of publication: Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 882 - 889
• a: 7.835 ± 0.003 Å
• b: 8.105 ± 0.003 Å
• c: 15.881 ± 0.004 Å
• α: 97.03 ± 0.03°
• β: 90.21 ± 0.03°
• γ: 90.15 ± 0.03°
• Cell volume: 1000.9 ± 0.6 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes