Information card for entry 2220421

Structure parameters

• Chemical name: 2'-Fluoro-3',5'-dimethoxyacetanilide
• Formula: C10 H12 F N O3
• Calculated formula: C10 H12 F N O3
• SMILES: Fc1c(cc(cc1NC(=O)C)OC)OC
• Title of publication: 2'-Fluoro-3',5'-dimethoxyacetanilide
• Authors of publication: Xie, Kai; Lou, Yuan-yuan; Zheng, Jin; Zhao, Qing-jie; Wei, Ya-bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o205
• a: 9.741 ± 0.003 Å
• b: 4.8439 ± 0.0012 Å
• c: 21.634 ± 0.006 Å
• α: 90°
• β: 98.082 ± 0.003°
• γ: 90°
• Cell volume: 1010.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes