Information card for entry 2210486

Structure parameters

• Chemical name: (E)-1-(2,4-Dinitrophenyl)-2-[4-methoxy-3-(4- methylbenzenesulfonyloxy)benzylidene]hydrazine
• Formula: C21 H18 N4 O8 S
• Calculated formula: C21 H18 N4 O8 S
• SMILES: S(=O)(=O)(Oc1c(OC)ccc(c1)/C=N/Nc1c(N(=O)=O)cc(N(=O)=O)cc1)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-1-(2,4-Dinitrophenyl)-2-[4-methoxy-3-(4-methylbenzenesulfonyloxy)benzylidene]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: 10
• Pages of publication: o4668 - o4669
• a: 7.365 ± 0.002 Å
• b: 12.978 ± 0.004 Å
• c: 13.547 ± 0.004 Å
• α: 62.937 ± 0.004°
• β: 88.904 ± 0.005°
• γ: 74.845 ± 0.005°
• Cell volume: 1105.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes