Information card for entry 2219598

Structure parameters

• Chemical name: (<i>E</i>)-4-(4-Hydroxy-3-nitrobenzylideneamino)-1,5-dimethyl-\ 2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C18 H16 N4 O4
• Calculated formula: C18 H16 N4 O4
• SMILES: N(=C\c1cc(N(=O)=O)c(O)cc1)/c1c(n(n(c2ccccc2)c1=O)C)C
• Title of publication: (<i>E</i>)-4-(4-Hydroxy-3-nitrobenzylideneamino)-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Zhang, Chun-Niu; Yang, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1988
• a: 7.5 ± 0.0015 Å
• b: 7.8 ± 0.0016 Å
• c: 28.9 ± 0.006 Å
• α: 90°
• β: 95 ± 0.03°
• γ: 90°
• Cell volume: 1684.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1599
• 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