Information card for entry 2219539

Structure parameters

• Chemical name: 4-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate
• Formula: C15 H16 N2 O5
• Calculated formula: C15 H16 N2 O5
• SMILES: Oc1c(cccc1OC)/C=N/NC(=O)c1ccc(O)cc1.O
• Title of publication: 4-Hydroxy-<i>N</i>'-(2-hydroxy-3-methoxybenzylidene)benzohydrazide monohydrate
• Authors of publication: Lu, Jiu-Fu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o2032
• a: 4.891 ± 0.002 Å
• b: 12.171 ± 0.005 Å
• c: 12.371 ± 0.005 Å
• α: 90°
• β: 95.724 ± 0.007°
• γ: 90°
• Cell volume: 732.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.1248
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes