Information card for entry 2226375

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxy-3- methoxybenzohydrazide methanol solvate
• Formula: C16 H17 Br N2 O5
• Calculated formula: C16 H17 Br N2 O5
• SMILES: Brc1ccc(O)c(c1)/C=N/NC(=O)c1cc(OC)c(O)cc1.OC
• Title of publication: (<i>E</i>)-<i>N</i>'-(5-Bromo-2-hydroxybenzylidene)-4-hydroxy-3-methoxybenzohydrazide methanol solvate
• Authors of publication: Liu, Shi-Yong; You, Zhonglu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1662
• a: 7.4412 ± 0.0004 Å
• b: 17.5287 ± 0.0009 Å
• c: 12.5555 ± 0.0008 Å
• α: 90°
• β: 91.2 ± 0.003°
• γ: 90°
• Cell volume: 1637.31 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0676
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes