Information card for entry 2218594

Structure parameters

• Chemical name: <i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3-hydroxybenzohydrazide methanol hemisolvate
• Formula: C15.5 H15 Br N2 O3.5
• Calculated formula: C15.5 H15 Br N2 O3.5
• SMILES: Brc1cc(c(OC)cc1)C=NNC(=O)c1cc(O)ccc1.OC
• Title of publication: <i>N</i>'-(5-Bromo-2-methoxybenzylidene)-3-hydroxybenzohydrazide methanol hemisolvate
• Authors of publication: Zhou, Zhi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1298
• a: 12.906 ± 0.002 Å
• b: 11.177 ± 0.002 Å
• c: 22.607 ± 0.003 Å
• α: 90°
• β: 93.706 ± 0.003°
• γ: 90°
• Cell volume: 3254.2 ± 0.9 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: 0.1866
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes