Information card for entry 2210981

Structure parameters

• 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-(4-methylphenylsulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine: a monoclinic polymorph
• Authors of publication: Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o2924 - o2925
• a: 6.343 ± 0.002 Å
• b: 15.305 ± 0.005 Å
• c: 10.78 ± 0.004 Å
• α: 90°
• β: 93.727 ± 0.006°
• γ: 90°
• Cell volume: 1044.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes