Information card for entry 8102363

Structure parameters

• Formula: C20 H20 N2 O5
• Calculated formula: C20 H20 N2 O5
• SMILES: Oc1c(c2c(cc1)cccc2)/C=N/NC(=O)c1cc(OC)c(O)cc1.OC
• Title of publication: Crystal structure of 4-hydroxy-3-methoxy-N'-(2-hydroxynaphthylidene)benzohydrazide methanol solvate, C19H16N2O4 · CH3OH
• Authors of publication: Xiao-Yang Qiu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 473
• a: 9.307 ± 0.003 Å
• b: 15.775 ± 0.005 Å
• c: 12.642 ± 0.004 Å
• α: 90°
• β: 105.633 ± 0.005°
• γ: 90°
• Cell volume: 1787.4 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No