Information card for entry 2214034

Structure parameters

• Chemical name: 5-(4-Fluorophenyl)-3-(4-methylphenyl)-1-phenyl-2-pyrazoline
• Formula: C22 H19 F N2
• Calculated formula: C22 H19 F N2
• SMILES: c1ccccc1N1C(c2ccc(cc2)F)CC(=N1)c1ccc(C)cc1
• Title of publication: 5-(4-Fluorophenyl)-3-(4-methylphenyl)-1-phenyl-2-pyrazoline
• Authors of publication: Huan-Mei Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3223 - o3223
• a: 14.854 ± 0.003 Å
• b: 11.429 ± 0.002 Å
• c: 10.833 ± 0.002 Å
• α: 90°
• β: 109.09 ± 0.003°
• γ: 90°
• Cell volume: 1737.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0642
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes