Information card for entry 2242379

Structure parameters

• Chemical name: 2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate
• Formula: C10 H11 Br N2 O2
• Calculated formula: C10 H11 Br N2 O2
• Title of publication: 2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate
• Authors of publication: Heintz, Katharina; Görls, Helmar; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 3
• Pages of publication: 341 - 344
• a: 5.7882 ± 0.0001 Å
• b: 9.2095 ± 0.0002 Å
• c: 20.2485 ± 0.0004 Å
• α: 90°
• β: 91.701 ± 0.001°
• γ: 90°
• Cell volume: 1078.9 ± 0.04 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes