Information card for entry 2209069

Structure parameters

• Chemical name: 2-aminopyridinium p-nitrobenzoate
• Formula: C12 H11 N3 O4
• Calculated formula: C12 H11 N3 O4
• SMILES: O=C([O-])c1ccc(N(=O)=O)cc1.c1(cccc[nH+]1)N
• Title of publication: Hydrogen-bonding patterns of 2-aminopyridinium <i>p</i>-nitrobenzoate
• Authors of publication: Samuel Robinson Jebas; Thailampillai Balasubramanian.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2209 - o2211
• a: 7.9403 ± 0.0012 Å
• b: 6.7719 ± 0.0006 Å
• c: 11.112 ± 0.0015 Å
• α: 90°
• β: 99.272 ± 0.006°
• γ: 90°
• Cell volume: 589.7 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes