Information card for entry 2234999

Structure parameters

• Chemical name: 2-Methylpiperidinium bromide
• Formula: C6 H14 Br N
• Calculated formula: C6 H14 Br N
• SMILES: C1(CCCC[NH2+]1)C.[Br-]
• Title of publication: 2-Methylpiperidinium bromide
• Authors of publication: Xu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1962
• a: 22.137 ± 0.004 Å
• b: 9.918 ± 0.002 Å
• c: 7.5853 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0961
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes