Information card for entry 2220427

Structure parameters

• Chemical name: <i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride
• Formula: C12 H18 Cl N O
• Calculated formula: C12 H18 Cl N O
• SMILES: [Cl-].O1CC[N+](CC1)(Cc1ccccc1)C
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-methylmorpholinium chloride
• Authors of publication: Bian, Yan-Jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o38
• a: 9.8693 ± 0.0008 Å
• b: 9.5732 ± 0.0008 Å
• c: 24.989 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361 ± 0.3 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: 0.0421
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes