Information card for entry 2230943

Structure parameters

• Chemical name: <i>N</i>-Methyl-2-oxo-1-phenylpropan-1-aminium chloride
• Formula: C10 H14 Cl N O
• Calculated formula: C10 H14 Cl N O
• SMILES: [Cl-].[NH2+](C(C(=O)C)c1ccccc1)C
• Title of publication: <i>N</i>-Methyl-2-oxo-1-phenylpropan-1-aminium chloride
• Authors of publication: Wang, Shi Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1855
• a: 12.631 ± 0.003 Å
• b: 8.2564 ± 0.0017 Å
• c: 11.423 ± 0.002 Å
• α: 90°
• β: 114.63 ± 0.03°
• γ: 90°
• Cell volume: 1082.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes