Information card for entry 2234970

Structure parameters

• Chemical name: 3-Methylpiperidinium bromide
• Formula: C6 H14 Br N O0
• Calculated formula: C6 H14 Br N
• SMILES: [NH2+]1CC(CCC1)C.[Br-]
• Title of publication: 3-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: o1654
• a: 23.134 ± 0.005 Å
• b: 9.997 ± 0.002 Å
• c: 7.7214 ± 0.0015 Å
• α: 90°
• β: 107.9 ± 0.03°
• γ: 90°
• Cell volume: 1699.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes