Information card for entry 2203314

Structure parameters

• Chemical name: (2-Pyridinio-2'-pyridyl)amine nitrate hydrate
• Formula: C10 H12 N4 O4
• Calculated formula: C10 H12 N4 O4
• SMILES: O=N(=O)[O-].N(c1[nH+]cccc1)c1ncccc1.O
• Title of publication: 2-(2-Pyridylamino)pyridinium nitrate monohydrate: two-dimensional supramolecular aggregation through hydrogen-bonding and π‒π stacking interactions
• Authors of publication: Miao Du; Xiao-Jun Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o439 - o441
• a: 7.795 ± 0.002 Å
• b: 9.734 ± 0.003 Å
• c: 17.164 ± 0.005 Å
• α: 95.982 ± 0.006°
• β: 102.332 ± 0.006°
• γ: 110.48 ± 0.005°
• Cell volume: 1168.9 ± 0.6 ų
• Cell temperature: 293 ± 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: 0.122
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes