Information card for entry 2214365

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-5-(4-fluorophenyl)-1-phenyl-2-pyrazoline
• Formula: C21 H16 Cl F N2
• Calculated formula: C21 H16 Cl F N2
• SMILES: c1ccccc1N1C(CC(=N1)c1ccc(cc1)Cl)c1ccc(cc1)F
• Title of publication: 3-(4-Chlorophenyl)-5-(4-fluorophenyl)-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: o3318 - o3318
• a: 14.675 ± 0.003 Å
• b: 11.271 ± 0.002 Å
• c: 11.086 ± 0.002 Å
• α: 90°
• β: 109.818 ± 0.002°
• γ: 90°
• Cell volume: 1725 ± 0.6 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: 0.054
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1106
• 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