Information card for entry 2214968

Structure parameters

• Chemical name: 1-Acetyl-5-(4-fluorophenyl)-3-(4-methylphenyl)-2-pyrazoline
• Formula: C18 H17 F N2 O
• Calculated formula: C18 H17 F N2 O
• SMILES: Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)F)C(=O)C
• Title of publication: 1-Acetyl-5-(4-fluorophenyl)-3-(4-methylphenyl)-2-pyrazoline
• Authors of publication: Guo, Huan-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3779 - o3779
• a: 14.521 ± 0.003 Å
• b: 11.405 ± 0.002 Å
• c: 9.719 ± 0.002 Å
• α: 90°
• β: 108.368 ± 0.003°
• γ: 90°
• Cell volume: 1527.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0565
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes