Information card for entry 2009535

Structure parameters

• Formula: C13 H20 Br N O2
• Calculated formula: C13 H20 Br N O2
• Title of publication: 2-Hydroxy-4,4-dimethyl-2-(2-methylphenyl)morpholinium bromide, C~13~H~20~NO~2~^+^.Br^{-^}
• Authors of publication: Garcia, J.G.; Fronczek, F.R.; Gandour, R.D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 430 - 432
• a: 8.693 ± 0.0005 Å
• b: 12.3768 ± 0.0009 Å
• c: 12.4624 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.85 ± 0.16 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.037
• Goodness-of-fit parameter for significantly intense reflections: 1.549
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No