Information card for entry 2220230

Structure parameters

• Common name: 2-(2-Fluorobenzoylmethyl)benzoic acid
• Chemical name: 2-(2-Fluorobenzoylmethyl)benzoic acid
• Formula: C15 H11 F O3
• Calculated formula: C15 H11 F O3
• SMILES: Fc1c(C(=O)Cc2c(C(=O)O)cccc2)cccc1
• Title of publication: 2-(2-Fluorobenzoylmethyl)benzoic acid
• Authors of publication: Hussain, Muhammad Tahir; Babar, Tariq Mahmood; Qadeer, Ghulam; Rama, Nasim Hasan; Ruzicka, Ales
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2267
• a: 8.3011 ± 0.0006 Å
• b: 15.3232 ± 0.0008 Å
• c: 9.9078 ± 0.001 Å
• α: 90°
• β: 96.942 ± 0.008°
• γ: 90°
• Cell volume: 1251.03 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes