Information card for entry 2239734

Structure parameters

• Chemical name: (<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(6-methoxy-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate
• Formula: C21 H22 N2 O8
• Calculated formula: C21 H22 N2 O8
• SMILES: o1cc(c(=O)c2cc(OC)ccc12)/C=N/NC(=O)c1cc(OC)c(OC)c(OC)c1.O
• Title of publication: (<i>E</i>)-3,4,5-Trimethoxy-<i>N</i>'-[(6-methoxy-4-oxo-4<i>H</i>-chromen-3-yl)methylidene]benzohydrazide monohydrate
• Authors of publication: Ishikawa, Yoshinobu; Watanabe, Kohzoh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o832
• a: 7.782 ± 0.003 Å
• b: 9.015 ± 0.005 Å
• c: 14.991 ± 0.006 Å
• α: 103.17 ± 0.05°
• β: 96.51 ± 0.03°
• γ: 95.52 ± 0.04°
• Cell volume: 1009.3 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.2303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes