Information card for entry 2229245

Structure parameters

• Chemical name: 3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• SMILES: O(c1ccc(cc1)C1=NN(C(C1)c1ccc(OC)cc1)c1ccccc1)C
• Title of publication: 3,5-Bis(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1<i>H</i>-pyrazole
• Authors of publication: Baktır, Zeliha; 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: 2
• Pages of publication: o328 - o329
• a: 9.4788 ± 0.0005 Å
• b: 10.1893 ± 0.0006 Å
• c: 19.9139 ± 0.001 Å
• α: 90°
• β: 92.296 ± 0.004°
• γ: 90°
• Cell volume: 1921.79 ± 0.18 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes