Information card for entry 2023296

Structure parameters

• Chemical name: 2-Amino-5-iodopyridinium bromide
• Formula: C5 H6 Br I N2
• Calculated formula: C5 H6 Br I N2
• SMILES: [nH+]1c(N)ccc(I)c1.[Br-]
• Title of publication: Salts of 2-amino-5-iodopyridinium
• Authors of publication: Mukda, Benjamin A.; Dickie, Diane A.; Turnbull, Mark M.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 11
• Pages of publication: 1230 - 1234
• a: 5.2152 ± 0.0002 Å
• b: 7.8039 ± 0.0003 Å
• c: 10.1294 ± 0.0004 Å
• α: 93.3762 ± 0.0012°
• β: 104.111 ± 0.0011°
• γ: 96.4297 ± 0.0012°
• Cell volume: 395.71 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0129
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for significantly intense reflections: 0.0287
• Weighted residual factors for all reflections included in the refinement: 0.0289
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No