Information card for entry 2215951

Structure parameters

• Chemical name: 5(4H)-one
• Formula: C25 H23 N3 O
• Calculated formula: C25 H23 N3 O
• SMILES: O=C1N(N=C(C1=C(Nc1c(C)ccc(c1)C)c1ccccc1)C)c1ccccc1
• Title of publication: 4-[(<i>Z</i>)-(2,5-Dimethylphenylamino)phenylmethylene]-3-methyl-1-phenyl-1<i>H</i>-pyrazol-5(4<i>H</i>)-one
• Authors of publication: Ma, Rui; Ma, Rongming; Hou, Yubang; Yong, Xuejian; Bao, Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4416 - o4416
• a: 24.011 ± 0.003 Å
• b: 14.2004 ± 0.0016 Å
• c: 12.5487 ± 0.0015 Å
• α: 90°
• β: 104.601 ± 0.002°
• γ: 90°
• Cell volume: 4140.5 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.853
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes