Information card for entry 2210521

Structure parameters

• Chemical name: 4-[(Z)-(2,4-Dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1H- pyrazol-5(4H)-one
• Formula: C25 H23 N3 O
• Calculated formula: C25 H23 N3 O
• SMILES: O=C1N(N=C(/C1=C(/Nc1ccc(cc1C)C)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-(2,4-Dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Ma, Rong-Ming; Sun, Shao-Fa; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4679 - o4680
• a: 7.909 ± 0.001 Å
• b: 11.2 ± 0.001 Å
• c: 13.239 ± 0.001 Å
• α: 106.41 ± 0.002°
• β: 106.327 ± 0.002°
• γ: 100.39 ± 0.002°
• Cell volume: 1035.71 ± 0.18 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.129
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes