Information card for entry 2210483

Structure parameters

• Chemical name: (E)-1-[3-Ethoxy-4-(4-methylbenzenesulfonyloxy)benzylidene]-2-(4- nitrophenyl)hydrazine acetonitrile solvate
• Formula: C24 H24 N4 O6 S
• Calculated formula: C24 H24 N4 O6 S
• SMILES: S(=O)(=O)(Oc1c(OCC)cc(cc1)/C=N/Nc1ccc(N(=O)=O)cc1)c1ccc(cc1)C.N#CC
• Title of publication: (<i>E</i>)-1-[3-Ethoxy-4-(4-methylbenzenesulfonyloxy)benzylidene]-2-(4-nitrophenyl)hydrazine acetonitrile solvate
• 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: o4670 - o4671
• a: 7.7257 ± 0.0017 Å
• b: 7.8019 ± 0.0018 Å
• c: 21.9 ± 0.005 Å
• α: 80.149 ± 0.004°
• β: 88.949 ± 0.004°
• γ: 72.208 ± 0.003°
• Cell volume: 1237.5 ± 0.5 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: 0.0693
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes