Information card for entry 2235981

Structure parameters

• Chemical name: 3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-ol
• Formula: C24 H19 N3 O
• Calculated formula: C24 H19 N3 O
• SMILES: OC1(N(N=C(C1)c1ccccc1)c1nc2ccccc2cc1)c1ccccc1
• Title of publication: 3,5-Diphenyl-1-(quinolin-2-yl)-4,5-dihydro-1<i>H</i>-pyrazol-5-ol
• Authors of publication: Najib, Muhd. Hidayat bin; Tan, Ai Ling; Young, David J.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2310 - o2311
• a: 30.505 ± 0.002 Å
• b: 7.8881 ± 0.0004 Å
• c: 16.5191 ± 0.0012 Å
• α: 90°
• β: 113.718 ± 0.009°
• γ: 90°
• Cell volume: 3639.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes