Information card for entry 2228038

Structure parameters

• Chemical name: <i>N</i>-Benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide
• Formula: C15 H14 Cl N O2
• Calculated formula: C15 H14 Cl N O2
• SMILES: Clc1cc(ccc1O)CC(=O)NCc1ccccc1
• Title of publication: <i>N</i>-Benzyl-2-(3-chloro-4-hydroxyphenyl)acetamide
• Authors of publication: Davis, Rohan A.; Healy, Peter C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2521
• a: 4.8255 ± 0.0002 Å
• b: 10.852 ± 0.0005 Å
• c: 12.7701 ± 0.0006 Å
• α: 90°
• β: 96.055 ± 0.004°
• γ: 90°
• Cell volume: 664.99 ± 0.05 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes