Information card for entry 2020645

Structure parameters

• Chemical name: 2-Amino-3-methylpyridinium hydrogen sulfate
• Formula: C6 H10 N2 O4 S
• Calculated formula: C6 H10 N2 O4 S
• SMILES: S(=O)(=O)(O)[O-].[nH+]1c(c(C)ccc1)N
• 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: 8.029 ± 0.003 Å
• b: 10.645 ± 0.004 Å
• c: 11.541 ± 0.004 Å
• α: 82.95 ± 0.03°
• β: 87.95 ± 0.03°
• γ: 67.93 ± 0.03°
• Cell volume: 907.1 ± 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: 0.0865
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes