Information card for entry 2019199

Structure parameters

• Chemical name: 2-Amino-5-iodopyridinium bromide hemihydrate
• Formula: C5 H7 Br I N2 O0.5
• Calculated formula: C5 H7 Br I N2 O0.5
• Title of publication: 2-Amino-5-iodopyridinium bromide hemihydrate and 2-amino-5-iodopyridinium chloride monohydrate
• Authors of publication: Polson, Matthew; Turnbull, Mark M.; Wikaira, Jan L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: 1152 - 1156
• a: 10.531 ± 0.003 Å
• b: 14.714 ± 0.005 Å
• c: 11.675 ± 0.004 Å
• α: 90°
• β: 104.457 ± 0.004°
• γ: 90°
• Cell volume: 1751.8 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No