Information card for entry 2231054

Structure parameters

• Chemical name: <i>N</i>'-(3,4-Dimethoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate
• Formula: C17 H20 N2 O6
• Calculated formula: C17 H20 N2 O6
• SMILES: N(=C\c1ccc(OC)c(OC)c1)/NC(=O)c1cc(O)cc(O)c1.CO
• Title of publication: <i>N</i>'-(3,4-Dimethoxybenzylidene)-3,5-dihydroxybenzohydrazide methanol monosolvate
• Authors of publication: Zhang, Qi-Hui; Zhou, Lian-Di; Li, Chuan-Xun; Huang, Shan-Shan; Zhang, Bao-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2189
• a: 12.467 ± 0.003 Å
• b: 12.201 ± 0.003 Å
• c: 11.149 ± 0.003 Å
• α: 90°
• β: 91.191 ± 0.003°
• γ: 90°
• Cell volume: 1695.5 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes