Information card for entry 2219603

Structure parameters

• Chemical name: 5-(3-fluorophenyl)-1-phenylpyrazolidin-3-one
• Formula: C15 H13 F N2 O
• Calculated formula: C15 H13 F N2 O
• SMILES: O=C1NN(C(c2cccc(F)c2)C1)c1ccccc1
• Title of publication: 5-(3-Fluorophenyl)-1-phenylpyrazolidin-3-one
• Authors of publication: Liu, Yuan-Yuan; Shi, Hong; Chu, Qing-Yan; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1886
• a: 10.265 ± 0.002 Å
• b: 7.313 ± 0.0015 Å
• c: 17.822 ± 0.004 Å
• α: 90°
• β: 92.39 ± 0.03°
• γ: 90°
• Cell volume: 1336.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1458
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes