Information card for entry 2211375

Structure parameters

• Chemical name: (E)-2-Methoxy-N'-[3-(4-methylphenylsulfonyloxy)benzylidene]benzohydrazide acetic acid solvate
• Formula: C24 H24 N2 O7 S
• Calculated formula: C24 H24 N2 O7 S
• SMILES: S(=O)(=O)(Oc1cccc(c1)/C=N/NC(=O)c1ccccc1OC)c1ccc(cc1)C.OC(=O)C
• Title of publication: (<i>E</i>)-2-Methoxy-<i>N</i>'-[3-(4-methylphenylsulfonyloxy)benzylidene]benzohydrazide acetic acid solvate
• Authors of publication: Chen, Xin; Yu, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5722 - o5723
• a: 8.2869 ± 0.0015 Å
• b: 8.935 ± 0.0016 Å
• c: 16.375 ± 0.003 Å
• α: 92.368 ± 0.003°
• β: 102.547 ± 0.003°
• γ: 95.484 ± 0.003°
• Cell volume: 1175.7 ± 0.4 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: 0.067
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes