Information card for entry 2236459

Structure parameters

• Chemical name: (<i>Z</i>)-3-Methyl-1-phenyl-4-[(<i>p</i>-tolyl)(<i>p</i>- tolylamino)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Formula: C25 H23 N3 O
• Calculated formula: C25 H23 N3 O
• SMILES: N1(N=C(/C(C1=O)=C(/Nc1ccc(cc1)C)c1ccc(cc1)C)C)c1ccccc1
• Title of publication: (<i>Z</i>)-3-Methyl-1-phenyl-4-[(<i>p</i>-tolyl)(<i>p</i>-tolylamino)methylidene]-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Sharma, Naresh; Vyas, Komal M.; Jadeja, R. N.; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3036
• a: 9.2694 ± 0.0004 Å
• b: 18.3156 ± 0.0008 Å
• c: 12.6716 ± 0.0007 Å
• α: 90°
• β: 105.124 ± 0.005°
• γ: 90°
• Cell volume: 2076.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1001
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes