Information card for entry 2222611

Structure parameters

• Chemical name: 2-Phenyl-5-(trifluoromethyl)pyrazol-3(2<i>H</i>)-one
• Formula: C10 H7 F3 N2 O
• Calculated formula: C10 H7 F3 N2 O
• Title of publication: 2-Phenyl-5-(trifluoromethyl)pyrazol-3(2<i>H</i>)-one
• Authors of publication: Gallardo, Hugo; Girotto, Edivandro; Bortoluzzi, Adailton J.; Terra, Geovana G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2040 - o2041
• a: 5.8409 ± 0.0005 Å
• b: 15.2454 ± 0.0014 Å
• c: 11.2291 ± 0.0017 Å
• α: 90°
• β: 92.403 ± 0.009°
• γ: 90°
• Cell volume: 999 ± 0.2 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: 0.1423
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes