Information card for entry 2232142

Structure parameters

• Common name: <i>N</i>-Benzylglycine hydrochloride
• Chemical name: 1-Carboxy-3-phenylpropan-2-aminium chloride
• Formula: C9 H12 Cl N O2
• Calculated formula: C9 H12 Cl N O2
• SMILES: OC(=O)C[NH2+]Cc1ccccc1.[Cl-]
• Title of publication: 1-Carboxy-3-phenylpropan-2-aminium chloride
• Authors of publication: Hosten, Eric; Gerber, Thomas; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2947
• a: 5.029 ± 0.0007 Å
• b: 5.49 ± 0.0008 Å
• c: 36.254 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1000.9 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.335
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes