Information card for entry 2219709

Structure parameters

• Chemical name: 4-Hydroxyethyl-4-methylmorpholinium chloride
• Formula: C7 H16 Cl N O2
• Calculated formula: C7 H16 Cl N O2
• SMILES: [Cl-].O1CC[N+](CC1)(C)CCO
• Title of publication: 4-Hydroxyethyl-4-methylmorpholinium chloride
• Authors of publication: Mei-Ling, Wang; Hong-Jun, Zang; Bo-Wen, Cheng; Song, Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2029
• a: 12.181 ± 0.002 Å
• b: 12.452 ± 0.003 Å
• c: 23.856 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3618.4 ± 1.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes