Information card for entry 2210473

Structure parameters

• Chemical name: (E)-1,5-Dimethyl-4-{2-[2-(2-nitrophenoxy)ethoxy]benzylideneamino}-2-phenyl- 1H-pyrazol-3(2H)-one
• Formula: C26 H24 N4 O5
• Calculated formula: C26 H24 N4 O5
• SMILES: O=N(=O)c1ccccc1OCCOc1ccccc1/C=N/C1=C(N(N(C1=O)c1ccccc1)C)C
• Title of publication: (<i>E</i>)-1,5-Dimethyl-4-{2-[2-(2-nitrophenoxy)ethoxy]benzylideneamino}-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Diao, Chun-Hua; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4422 - o4424
• a: 13.255 ± 0.004 Å
• b: 18.369 ± 0.005 Å
• c: 10.04 ± 0.003 Å
• α: 90°
• β: 103.14 ± 0.005°
• γ: 90°
• Cell volume: 2380.5 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1855
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes