Information card for entry 2207980

Structure parameters

• Chemical name: 2-Chloro-2-phenylethylaminium chloride
• Formula: C8 H11 Cl2 N
• Calculated formula: C8 H11 Cl2 N
• SMILES: ClC(c1ccccc1)C[NH3+].[Cl-]
• Title of publication: 2-Chloro-2-phenylethylammonium chloride
• Authors of publication: Lejon, Tore; Ingebrigtsen, Truls; Hansen, Lars Kr.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o701 - o702
• a: 8.4813 ± 0.0013 Å
• b: 20.409 ± 0.005 Å
• c: 10.939 ± 0.002 Å
• α: 90°
• β: 90.719 ± 0.013°
• γ: 90°
• Cell volume: 1893.3 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1521
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes