Information card for entry 2225090

Structure parameters

• Chemical name: 2-Amino-3-nitropyridinium perchlorate
• Formula: C5 H6 Cl N3 O6
• Calculated formula: C5 H6 Cl N3 O6
• SMILES: [O-]Cl(=O)(=O)=O.[nH+]1c(N)c(N(=O)=O)ccc1
• Title of publication: 2-Amino-3-nitropyridinium perchlorate
• Authors of publication: Toumi Akriche, Samah; Rzaigui, Mohamed; Al-Hokbany, Noura; Mahfouz, Refaat Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o300
• a: 5.888 ± 0.002 Å
• b: 18.342 ± 0.006 Å
• c: 9.17 ± 0.004 Å
• α: 90°
• β: 116.61 ± 0.03°
• γ: 90°
• Cell volume: 885.4 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• 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: 0.1401
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes