Information card for entry 2008787

Structure parameters

• Formula: C6 H7 N3 O3
• Calculated formula: C6 H7 N3 O3
• SMILES: O=n1ccc(cc1)N(N(=O)=O)C
• Title of publication: 4-(<i>N</i>-Methylnitramino)pyridine 1-oxide
• Authors of publication: Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1292 - 1295
• a: 12.758 ± 0.003 Å
• b: 6.964 ± 0.001 Å
• c: 16.053 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1426.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No