Information card for entry 2214029

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-5-(2-furyl)-1-phenyl-2-pyrazoline
• Formula: C19 H15 Cl N2 O
• Calculated formula: C19 H15 Cl N2 O
• SMILES: c1ccccc1N1C(c2ccco2)CC(=N1)c1ccc(cc1)Cl
• Title of publication: 3-(4-Chlorophenyl)-5-(2-furyl)-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: o3147 - o3147
• a: 5.9247 ± 0.0014 Å
• b: 8.482 ± 0.002 Å
• c: 16.284 ± 0.004 Å
• α: 101.424 ± 0.003°
• β: 90.909 ± 0.003°
• γ: 99.468 ± 0.003°
• Cell volume: 790.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes