Information card for entry 1544194

Structure parameters

• Chemical name: 2-Aminopyridinium 2,4-dinitrophenolate
• Formula: C11 H10 N4 O5
• Calculated formula: C11 H10 N4 O5
• SMILES: c1(cc(c([O-])cc1)N(=O)=O)N(=O)=O.c1(cccc[nH+]1)N
• Title of publication: 2-Aminopyridinium 2,4-dinitrophenolate
• Authors of publication: Devi, S. Reena; Akilan, R.; Kumar, R. Mohan; Ganesh, T.; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• Pages of publication: x161489
• a: 7.6303 ± 0.0002 Å
• b: 9.3142 ± 0.0003 Å
• c: 17.2518 ± 0.0005 Å
• α: 90.339 ± 0.002°
• β: 99.468 ± 0.002°
• γ: 99.556 ± 0.003°
• Cell volume: 1191.91 ± 0.06 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes