Information card for entry 2214315

Structure parameters

• Chemical name: 1-Acetyl-3-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-2-pyrazoline
• Formula: C17 H13 Cl2 F N2 O
• Calculated formula: C17 H13 Cl2 F N2 O
• SMILES: c1cc(ccc1C1CC(=NN1C(=O)C)c1c(ccc(c1)Cl)Cl)F
• Title of publication: 1-Acetyl-3-(2,5-dichlorophenyl)-5-(4-fluorophenyl)-2-pyrazoline
• Authors of publication: Yun-Chen Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3155 - o3155
• a: 21.263 ± 0.003 Å
• b: 9.733 ± 0.0015 Å
• c: 14.946 ± 0.002 Å
• α: 90°
• β: 90.188 ± 0.002°
• γ: 90°
• Cell volume: 3093.1 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes