Information card for entry 2201522

Structure parameters

• Chemical name: 5-(4-Fluorophenyl)-1-phenylpyrazole
• Formula: C15 H11 F N2
• Calculated formula: C15 H11 F N2
• SMILES: n1(nccc1c1ccc(F)cc1)c1ccccc1
• Title of publication: 5-(4-Fluorophenyl)-1-phenylpyrazole
• Authors of publication: Daniel E. Lynch; Ian McClenaghan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: o731 - o732
• a: 7.847 ± 0.002 Å
• b: 7.904 ± 0.002 Å
• c: 19.551 ± 0.004 Å
• α: 90.2 ± 0.03°
• β: 100.92 ± 0.03°
• γ: 90.61 ± 0.03°
• Cell volume: 1190.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes