Information card for entry 2211592

Structure parameters

• Chemical name: (E)-1-[(3-Methoxy-4-benzoyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine
• Formula: C21 H17 N3 O5
• Calculated formula: C21 H17 N3 O5
• SMILES: O=C(Oc1ccc(cc1OC)/C=N/Nc1ccc(N(=O)=O)cc1)c1ccccc1
• Title of publication: (<i>E</i>)-1-(4-Benzoyloxy-3-methoxybenzylidene)-2-(4-nitrophenyl)hydrazine
• Authors of publication: Zhang, Qiao-Zhen; Zhao, Yan-Li; Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5375 - o5376
• a: 8.111 ± 0.0016 Å
• b: 14.965 ± 0.003 Å
• c: 16.22 ± 0.003 Å
• α: 90°
• β: 104.07 ± 0.03°
• γ: 90°
• Cell volume: 1909.7 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes