Information card for entry 2213078

Structure parameters

• Chemical name: 1-Acetyl-5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-pyrazoline
• Formula: C17 H14 Cl F N2 O
• Calculated formula: C17 H14 Cl F N2 O
• SMILES: Clc1ccc(C2N(N=C(c3ccc(F)cc3)C2)C(=O)C)cc1
• Title of publication: 1-Acetyl-5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-pyrazoline
• Authors of publication: Huan-Mei Guo; Fang-Fang Jian; Pu-Su Zhao; Li-Min Li; Qian Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2620 - o2621
• a: 6.119 ± 0.002 Å
• b: 12.696 ± 0.005 Å
• c: 19.812 ± 0.007 Å
• α: 90°
• β: 97.549 ± 0.007°
• γ: 90°
• Cell volume: 1525.8 ± 0.9 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.0883
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes