Information card for entry 2211695

Structure parameters

• Chemical name: 5-(2-Chlorophenyl)-3-(4-chlorophenyl)-1-phenyl-2-pyrazoline
• Formula: C21 H16 Cl2 N2
• Calculated formula: C21 H16 Cl2 N2
• SMILES: Clc1ccccc1C1N(N=C(C1)c1ccc(Cl)cc1)c1ccccc1
• Title of publication: 5-(2-Chlorophenyl)-3-(4-chlorophenyl)-1-phenyl-2-pyrazoline
• Authors of publication: Huan-Mei Guo; Fang-Fang Jian; Pu-Su Zhao; Yun-Chen Zhang; Yu-Feng Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o215 - o216
• a: 8.352 ± 0.0017 Å
• b: 9.502 ± 0.0019 Å
• c: 11.751 ± 0.002 Å
• α: 89.57 ± 0.03°
• β: 80.43 ± 0.03°
• γ: 81.83 ± 0.03°
• Cell volume: 910.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes