Information card for entry 2210631

Structure parameters

• Chemical name: (E)-1-[3-Methoxy-4-(p-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine
• Formula: C21 H19 N3 O6 S
• Calculated formula: C21 H19 N3 O6 S
• SMILES: S(=O)(=O)(Oc1ccc(/C=N/Nc2ccc(N(=O)=O)cc2)cc1OC)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1-[3-Methoxy-4-(<i>p</i>-tolylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine
• Authors of publication: Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4535 - o4536
• a: 20.272 ± 0.003 Å
• b: 16.568 ± 0.003 Å
• c: 12.348 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4147.3 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes