Information card for entry 2219325

Structure parameters

• Chemical name: 1,5-Dimethyl-4-[(E)-3-phenoxybenzylideneamino]-2-phenyl-1<i>H</i>- pyrazol-3(2<i>H</i>)-one
• Formula: C24 H21 N3 O2
• Calculated formula: C24 H21 N3 O2
• SMILES: O=C1N(N(C(=C1/N=C/c1cccc(Oc2ccccc2)c1)C)C)c1ccccc1
• Title of publication: 1,5-Dimethyl-4-[(<i>E</i>)-3-phenoxybenzylideneamino]-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Sun, Yi-Feng; Zhang, Feng-Yu; Liu, Yang; Wang, Zi-Ying; Cheng, Xue-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1679
• a: 7.664 ± 0.0012 Å
• b: 8.3593 ± 0.0014 Å
• c: 16.731 ± 0.003 Å
• α: 77.396 ± 0.003°
• β: 77.587 ± 0.002°
• γ: 76.24 ± 0.003°
• Cell volume: 1000.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes