Information card for entry 2213184

Structure parameters

• Chemical name: 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1-phenyl-2-pyrazoline
• Formula: C22 H19 Cl N2
• Calculated formula: C22 H19 Cl N2
• SMILES: Clc1ccc(cc1)C1=NN([C@@H](C1)c1ccc(cc1)C)c1ccccc1
• Title of publication: 3-(4-Chlorophenyl)-5-(4-methylphenyl)-1-phenyl-2-pyrazoline
• Authors of publication: Huan-Mei Guo; Fang-Fang Jian; Pu-Su Zhao; Ben-Yu Huang; Cui-Hua Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2622 - o2622
• a: 23.614 ± 0.011 Å
• b: 5.698 ± 0.003 Å
• c: 14.232 ± 0.006 Å
• α: 90°
• β: 96.557 ± 0.008°
• γ: 90°
• Cell volume: 1902.4 ± 1.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes