Information card for entry 2210476

Structure parameters

• Chemical name: (E)-1-(2,4-Dinitrophenyl)-2-[3-methoxy-2-(p- tolylsulfonyloxy)benzylidene]hydrazine
• Formula: C21 H18 N4 O8 S
• Calculated formula: C21 H18 N4 O8 S
• SMILES: S(=O)(=O)(Oc1c(cccc1OC)/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-[3-methoxy-2-(<i>p</i>-tolylsulfonyloxy)benzylidene]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: o4468 - o4469
• a: 7.9826 ± 0.0014 Å
• b: 16.545 ± 0.003 Å
• c: 16.664 ± 0.003 Å
• α: 90°
• β: 101.556 ± 0.003°
• γ: 90°
• Cell volume: 2156.2 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0902
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1135
• 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