Information card for entry 2204189

Structure parameters

• Chemical name: 3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate
• Formula: C16 H18 N2 O5
• Calculated formula: C16 H18 N2 O5
• SMILES: Oc1c(OC)cccc1C=NNC(=O)c1ccc(OC)cc1.O
• Title of publication: 3-Methoxysalicylaldehyde 4-methoxybenzoylhydrazone monohydrate
• Authors of publication: Huo, Li-Hua; Gao, Shan; Zhao, Hui; Zhao, Jing-Gui; Zain, Sharifuddin M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1538 - o1540
• a: 5.013 ± 0.001 Å
• b: 12.733 ± 0.003 Å
• c: 24.096 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1538.1 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes