Information card for entry 2227784

Structure parameters

• Chemical name: 3-Aminopyridinium picrate
• Formula: C11 H9 N5 O7
• Calculated formula: C11 H9 N5 O7
• SMILES: c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O.c1(ccc[nH+]c1)N
• Title of publication: 3-Aminopyridinium picrate
• Authors of publication: Li, Yan-jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2680
• a: 8.2174 ± 0.0008 Å
• b: 13.5842 ± 0.0013 Å
• c: 11.8218 ± 0.0012 Å
• α: 90°
• β: 102.117 ± 0.002°
• γ: 90°
• Cell volume: 1290.2 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes