Information card for entry 2311318

Structure parameters

• Chemical name: 2-Cyano-1-methylpyridinium bromide
• Formula: C7 H7 Br N2
• Calculated formula: C7 H7 Br N2
• Title of publication: Crystal structure of 2-cyano-1-methyl-pyridinium bromide.
• Authors of publication: Nguyen, Vu D.; McCormick, Cameron A.; Pascal, Jr, Robert A; Mague, Joel T.; Koplitz, Lynn V.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 11
• Pages of publication: o854 - 5
• a: 13.3039 ± 0.0012 Å
• b: 6.5892 ± 0.0006 Å
• c: 9.3753 ± 0.0008 Å
• α: 90°
• β: 92.419 ± 0.001°
• γ: 90°
• Cell volume: 821.13 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0473
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No