Information card for entry 2222872

Structure parameters

• Chemical name: 2-Chloro-4-fluoro-<i>N</i>-phenylbenzamide
• Formula: C13 H9 Cl F N O
• Calculated formula: C13 H9 Cl F N O
• SMILES: Clc1c(C(=O)Nc2ccccc2)ccc(F)c1
• Title of publication: 2-Chloro-4-fluoro-<i>N</i>-phenylbenzamide
• Authors of publication: Tan, Zhengde; Bing, Yi; Fang, Shen; Kai, Zhao; Yan, Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1757
• a: 22.262 ± 0.003 Å
• b: 5.6452 ± 0.0006 Å
• c: 9.6743 ± 0.0012 Å
• α: 90°
• β: 105.832 ± 0.002°
• γ: 90°
• Cell volume: 1169.7 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes