Information card for entry 2220588

Structure parameters

• Chemical name: <i>N</i>-Benzyl-<i>N</i>-ethylmorpholinium chloride
• Formula: C13 H20 Cl N O
• Calculated formula: C13 H20 Cl N O
• SMILES: [Cl-].O1CC[N+](CC1)(Cc1ccccc1)CC
• Title of publication: <i>N</i>-Benzyl-<i>N</i>-ethylmorpholinium 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: o105
• a: 13.179 ± 0.003 Å
• b: 8.4176 ± 0.0017 Å
• c: 12.255 ± 0.003 Å
• α: 90°
• β: 108.48 ± 0.03°
• γ: 90°
• Cell volume: 1289.4 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes