Information card for entry 2214142

Structure parameters

• Chemical name: 1-[2-Chloro-4-(4-fluorophenoxy)phenyl]ethanone
• Formula: C14 H10 Cl F O2
• Calculated formula: C14 H10 Cl F O2
• SMILES: Clc1c(ccc(Oc2ccc(F)cc2)c1)C(=O)C
• Title of publication: 1-[2-Chloro-4-(4-fluorophenoxy)phenyl]ethanone
• Authors of publication: Liang-Zhong Xu; Wen-Zhao Bi; Zhi-Wei Zhai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3243 - o3243
• a: 11.06 ± 0.002 Å
• b: 10.66 ± 0.002 Å
• c: 10.489 ± 0.002 Å
• α: 90°
• β: 97.91 ± 0.03°
• γ: 90°
• Cell volume: 1224.9 ± 0.4 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: 0.0578
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes