Information card for entry 2008333

Structure parameters

• Chemical name: 4‒(N‒Methylnitramino)-1‒methylpyridinium bromide
• Formula: C7 H10 Br N3 O2
• Calculated formula: C7 H10 Br N3 O2
• SMILES: [Br-].O=N(=O)N(c1cc[n+](cc1)C)C
• Title of publication: 1-Methyl-4-(<i>N</i>-methylnitramino)pyridinium bromide
• Authors of publication: Zaleski, Jacek; Daszkiewicz, Zdzisław; Kyzioł, Janusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 691 - 693
• a: 10.48 ± 0.002 Å
• b: 11.949 ± 0.002 Å
• c: 15.005 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1879 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No