Information card for entry 2211073

Structure parameters

• Chemical name: (<i>E</i>)-1-{2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzylidene} -2-(2,4-dinitrophenyl)hydrazone
• Formula: C22 H18 N6 O11
• Calculated formula: C22 H18 N6 O11
• SMILES: O=N(=O)c1ccc(N\N=C\c2cccc(OC)c2OCCOc2ccc(N(=O)=O)cc2N(=O)=O)c(N(=O)=O)c1
• Title of publication: (<i>E</i>)-2-[2-(2,4-Dinitrophenoxy)ethoxy]-3-methoxybenzaldehyde 2,4-dinitrophenylhydrazone
• Authors of publication: Diao, Chun-Hua; Chen, Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4896 - o4898
• a: 9.447 ± 0.002 Å
• b: 10.286 ± 0.002 Å
• c: 13.357 ± 0.003 Å
• α: 68.912 ± 0.004°
• β: 76.697 ± 0.004°
• γ: 85.64 ± 0.004°
• Cell volume: 1178.5 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0913
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes