Information card for entry 2229676

Structure parameters

• Chemical name: 3,5-Bis(4-methylphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Formula: C23 H22 N2
• Calculated formula: C23 H22 N2
• SMILES: N1(N=C(CC1c1ccc(cc1)C)c1ccc(cc1)C)c1ccccc1
• Title of publication: 3,5-Bis(4-methylphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Authors of publication: Butcher, Ray J.; Akkurt, Mehmet; Samshuddin, S.; Narayana, B.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o1019
• a: 5.8113 ± 0.0003 Å
• b: 10.6959 ± 0.0005 Å
• c: 28.4455 ± 0.0013 Å
• α: 90°
• β: 94.983 ± 0.004°
• γ: 90°
• Cell volume: 1761.41 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes