Information card for entry 2213936

Structure parameters

• Chemical name: (2-Phenyl)ethylammonium chloride
• Formula: C8 H12 Cl N
• Calculated formula: C8 H12 Cl N
• SMILES: [NH3+]CCc1ccccc1.[Cl-]
• Title of publication: (2-Phenylethyl)ammonium chloride
• Authors of publication: Arkenbout, Anne H.; Meetsma, Auke; Palstra, Thomas T. M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2987 - o2987
• a: 4.5354 ± 0.0006 Å
• b: 5.8868 ± 0.0008 Å
• c: 31.991 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 854.13 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes