Information card for entry 2213379

Structure parameters

• Chemical name: 3-Methyl-1-phenyl-4-[phenyl(8-quinolylamino)methylene]pyrazol-5(4H)-one
• Formula: C26 H20 N4 O
• Calculated formula: C26 H20 N4 O
• SMILES: O=C1N(N=C(C1=C(Nc1cccc2cccnc12)c1ccccc1)C)c1ccccc1
• Title of publication: 3-Methyl-1-phenyl-4-[phenyl(8-quinolylamino)methylene]pyrazol-5(4<i>H</i>)-one
• Authors of publication: Yi-Feng Sun; Ji-Kun Li; Ren-Tao Wu; Yi-Ping Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2176 - o2177
• a: 7.387 ± 0.001 Å
• b: 26.563 ± 0.004 Å
• c: 10.736 ± 0.0015 Å
• α: 90°
• β: 99.937 ± 0.002°
• γ: 90°
• Cell volume: 2075 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes