Information card for entry 2213313

Structure parameters

• Chemical name: 4-Hydroxy-3,5-dimethoxybenzaldehyde 3,4,5-trimethoxybenzoylhydrazone monohydrate
• Formula: C19 H24 N2 O8
• Calculated formula: C19 H24 N2 O8
• SMILES: Oc1c(OC)cc(/C=N/NC(=O)c2cc(c(c(c2)OC)OC)OC)cc1OC.O
• Title of publication: 4-Hydroxy-3,5-dimethoxybenzaldehyde 3,4,5-trimethoxybenzoylhydrazone monohydrate
• Authors of publication: Yi-Feng Sun; Xian-Zhong Sun; Ji-Kun Li; Yi-Ping Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2180 - o2181
• a: 10.1299 ± 0.0004 Å
• b: 13.8108 ± 0.0006 Å
• c: 14.8758 ± 0.0006 Å
• α: 90°
• β: 109.598 ± 0.002°
• γ: 90°
• Cell volume: 1960.59 ± 0.14 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1189
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes