Information card for entry 2229561

Structure parameters

• Chemical name: 1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: O=C(N1N=C(CC1c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: 1-Benzoyl-3,5-diphenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Authors of publication: Zheng, Chang-Zheng; Wang, Liang; Liu, Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o556
• a: 20.276 ± 0.006 Å
• b: 5.7859 ± 0.0017 Å
• c: 14.786 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1734.6 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes