Information card for entry 2213318

Structure parameters

• Chemical name: 4-Benzylmorpholin-4-ium chloride
• Formula: C11 H16 Cl N O
• Calculated formula: C11 H16 Cl N O
• SMILES: c1(ccccc1)C[NH+]1CCOCC1.[Cl-]
• Title of publication: 4-Benzylmorpholin-4-ium chloride
• Authors of publication: Copolovici, Dana; Silvestru, Cristian; Varga, Richard A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2465 - o2465
• a: 7.0181 ± 0.0006 Å
• b: 9.3458 ± 0.0009 Å
• c: 17.3003 ± 0.0016 Å
• α: 90°
• β: 90.958 ± 0.002°
• γ: 90°
• Cell volume: 1134.56 ± 0.18 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes