Information card for entry 2222042

Structure parameters

• Chemical name: <i>N</i>'-(2,4-Dimethoxybenzylidene)-3,4,5-trihydroxybenzohydrazide ethanol solvate
• Formula: C18 H22 N2 O7
• Calculated formula: C18 H22 N2 O7
• SMILES: c1c(c(c(cc1C(=O)NN=Cc1c(cc(cc1)OC)OC)O)O)O.CCO
• Title of publication: <i>N</i>'-(2,4-Dimethoxybenzylidene)-3,4,5-trihydroxybenzohydrazide ethanol solvate
• Authors of publication: Alhadi, Abeer A.; Saharin, Siti Munirah; Mohd Ali, Hapipah; Robinson, Ward T.; Abdulla, Mahmood A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1373
• a: 7.8347 ± 0.0001 Å
• b: 17.5412 ± 0.0003 Å
• c: 13.023 ± 0.0002 Å
• α: 90°
• β: 93.936 ± 0.001°
• γ: 90°
• Cell volume: 1785.53 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes