Information card for entry 2234621

Structure parameters

• Chemical name: <i>N</i>-(3-Chloro-4-fluorophenyl)acetamide
• Formula: C8 H7 Cl F N O
• Calculated formula: C8 H7 Cl F N O
• SMILES: Clc1cc(NC(=O)C)ccc1F
• Title of publication: <i>N</i>-(3-Chloro-4-fluorophenyl)acetamide
• Authors of publication: Fun, Hoong-Kun; Loh, Wan-Sin; Shetty, Divya N.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1348
• a: 7.6776 ± 0.0004 Å
• b: 12.7671 ± 0.0007 Å
• c: 9.813 ± 0.0004 Å
• α: 90°
• β: 124.432 ± 0.003°
• γ: 90°
• Cell volume: 793.35 ± 0.07 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0613
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes