Information card for entry 2010573

Structure parameters

• Formula: C7 H11 Br N2
• Calculated formula: C7 H11 Br N2
• SMILES: c1cc(N(C)C)cc[nH+]1.[Br-]
• Title of publication: 4-Dimethylaminopyridinium bromide
• Authors of publication: Mayr-Stein, Ralf; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: e19 - e20
• a: 6.9804 ± 0.0008 Å
• b: 19.256 ± 0.002 Å
• c: 26.131 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3512.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes