Information card for entry 2231991

Structure parameters

• Common name: Morpholine Hydrobromide
• Chemical name: morpholinium bromide
• Formula: C4 H10 Br N O
• Calculated formula: C4 H10 Br N O
• SMILES: [Br-].O1CC[NH2+]CC1
• Title of publication: Hydrogen-bond interactions in morpholinium bromide
• Authors of publication: Padayachy, Kamentheren; Mgcima, Zolani; Fernandes, Manuel A.; Marques, Helder M.; de Sousa, Alvaro S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2594
• a: 6.1247 ± 0.0002 Å
• b: 10.3063 ± 0.0003 Å
• c: 10.1141 ± 0.0003 Å
• α: 90°
• β: 100.312 ± 0.002°
• γ: 90°
• Cell volume: 628.12 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes