Information card for entry 2236552

Structure parameters

• Common name: (2-A-5-MepyrH).IBr2
• Chemical name: 2-Amino-5-methylpyridinium dibromoiodate
• Formula: C6 H9 Br2 I N2
• Calculated formula: C6 H9 Br2 I N2
• SMILES: [nH+]1c(N)ccc(c1)C.[I-](Br)Br
• Title of publication: 2-Amino-5-methylpyridinium dibromoiodate
• Authors of publication: Haddad, Salim F.; Ali, Basem F.; Al-Far, Rawhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2786
• a: 8.3648 ± 0.0013 Å
• b: 8.4233 ± 0.0016 Å
• c: 9.2321 ± 0.0016 Å
• α: 105.107 ± 0.016°
• β: 115.371 ± 0.016°
• γ: 98.241 ± 0.015°
• Cell volume: 542.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes