Information card for entry 2212864

Structure parameters

• Formula: C21 H16 Br Cl N2
• Calculated formula: C21 H16 Br Cl N2
• SMILES: Brc1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)c1ccccc1
• Title of publication: 3-(4-Bromophenyl)-5-(2-chlorophenyl)-1-phenyl-2-pyrazoline
• Authors of publication: Guo, Huan-Mei; Jian, Fang-Fang; Wang, Lei; Li, Li-Min; Wu, Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1908 - o1909
• a: 8.444 ± 0.0017 Å
• b: 9.481 ± 0.0019 Å
• c: 11.78 ± 0.002 Å
• α: 89.64 ± 0.03°
• β: 80.73 ± 0.03°
• γ: 81.73 ± 0.03°
• Cell volume: 920.9 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0838
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes