Information card for entry 2008794

Structure parameters

• Formula: C6 H8 N4 O4
• Calculated formula: C6 H8 N4 O4
• SMILES: O=C(Nc1cccc[nH+]1)N.N(=O)(=O)[O-]
• Title of publication: <i>N</i>-(2-Pyridinium)urea nitrate
• Authors of publication: Velikova, Velichka; Bakardjeva,Snejana; Angelova,Olyana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1328 - 1330
• a: 5.0861 ± 0.001 Å
• b: 12.198 ± 0.002 Å
• c: 13.76 ± 0.002 Å
• α: 90°
• β: 96.07 ± 0.015°
• γ: 90°
• Cell volume: 848.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 292 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: 0.0665
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No