Information card for entry 2227549

Structure parameters

• Chemical name: 4-[(<i>E</i>)-3-Methoxy-5-nitro-4-(4-nitrobenzyloxy)benzylideneamino]- 1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Formula: C26 H23 N5 O7
• Calculated formula: C26 H23 N5 O7
• SMILES: N(=O)(=O)c1ccc(cc1)COc1c(OC)cc(cc1N(=O)=O)/C=N/C1C(=O)N(N(C=1C)C)c1ccccc1
• Title of publication: 4-[(<i>E</i>)-3-Methoxy-5-nitro-4-(4-nitrobenzyloxy)benzylideneamino]-1,5-dimethyl-2-phenyl-1<i>H</i>-pyrazol-3(2<i>H</i>)-one
• Authors of publication: Liao, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2783
• a: 25.671 ± 0.011 Å
• b: 11.933 ± 0.005 Å
• c: 16.617 ± 0.007 Å
• α: 90°
• β: 103.972 ± 0.007°
• γ: 90°
• Cell volume: 4940 ± 4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes