Information card for entry 2213672

Structure parameters

• Chemical name: 3-(4-Fluorophenyl)-1-phenyl-5-(<i>p</i>-tolyl)-2-pyrazoline
• Formula: C22 H19 F N2
• Calculated formula: C22 H19 F N2
• SMILES: Fc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)C)c1ccccc1
• Title of publication: 3-(4-Fluorophenyl)-1-phenyl-5-(<i>p</i>-tolyl)-2-pyrazoline
• Authors of publication: Guo, Huan-Mei; Jian, Fang-Fang; Wang, Jing; Huang, Ben-Yu; Zhang, Yun-chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2980 - o2980
• a: 20.05 ± 0.002 Å
• b: 5.588 ± 0.003 Å
• c: 16.48 ± 0.002 Å
• α: 90°
• β: 108.913 ± 0.019°
• γ: 90°
• Cell volume: 1746.7 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1395
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.2223
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No