Information card for entry 2226126

Structure parameters

• Chemical name: 2-Hydroxy-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)-3-methylbenzohydrazide monohydrate
• Formula: C16 H18 N2 O5
• Calculated formula: C16 H18 N2 O5
• SMILES: Oc1c(ccc(OC)c1)/C=N/NC(=O)c1c(O)c(ccc1)C.O
• Title of publication: 2-Hydroxy-<i>N</i>'-(2-hydroxy-4-methoxybenzylidene)-3-methylbenzohydrazide monohydrate
• Authors of publication: Han, You-Yue; Li, Yong-Hong; Zhao, Qiu-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1340
• a: 4.488 ± 0.001 Å
• b: 13.494 ± 0.002 Å
• c: 26.089 ± 0.003 Å
• α: 90°
• β: 91.63 ± 0.002°
• γ: 90°
• Cell volume: 1579.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1117
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No