Information card for entry 2213441

Structure parameters

• Chemical name: N'-(4-Hydroxy-3-methoxybenzylidene)-3,5-dimethoxybenzohydrazide monohydrate
• Formula: C17 H20 N2 O6
• Calculated formula: C17 H20 N2 O6
• SMILES: Oc1ccc(cc1OC)C=NNC(=O)c1cc(OC)cc(OC)c1.O
• Title of publication: <i>N</i>'-(4-Hydroxy-3-methoxybenzylidene)-3,5-dimethoxybenzohydrazide monohydrate
• Authors of publication: Shang, Zhen-Hua; Zhang, Hui-Li; Ding, Yue
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2623 - o2624
• a: 10.8278 ± 0.0019 Å
• b: 18.276 ± 0.003 Å
• c: 9.4755 ± 0.0017 Å
• α: 90°
• β: 115.735 ± 0.003°
• γ: 90°
• Cell volume: 1689.1 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0676
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes