Information card for entry 2223761

Structure parameters

• Chemical name: (<i>E</i>)-<i>N'</i>-(2,5-Dimethoxybenzylidene)-3,4-dihydroxybenzohydrazide monohydrate
• Formula: C16 H18 N2 O6
• Calculated formula: C16 H18 N2 O6
• SMILES: Oc1cc(ccc1O)C(=O)N/N=C/c1c(OC)ccc(OC)c1.O
• Title of publication: (<i>E</i>)-<i>N</i>'-(2,5-Dimethoxybenzylidene)-3,4-dihydroxybenzohydrazide monohydrate
• Authors of publication: Xu, Bin; Han, Ling; Zhang, Qi-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2615
• a: 10.2573 ± 0.0008 Å
• b: 12.4199 ± 0.001 Å
• c: 14.0042 ± 0.0008 Å
• α: 90°
• β: 119.666 ± 0.004°
• γ: 90°
• Cell volume: 1550.2 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes