Information card for entry 2234007

Structure parameters

• Chemical name: (<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)- 3-methoxybenzohydrazide methanol monosolvate
• Formula: C16 H16 I2 N2 O5
• Calculated formula: C16 H16 I2 N2 O5
• SMILES: Ic1c(O)c(cc(I)c1)/C=N/NC(=O)c1cc(OC)c(O)cc1.OC
• Title of publication: (<i>E</i>)-4-Hydroxy-<i>N</i>'-(2-hydroxy-3,5-diiodobenzylidene)-3-methoxybenzohydrazide methanol monosolvate
• Authors of publication: Li, Xiao-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o654
• a: 19.467 ± 0.003 Å
• b: 12.655 ± 0.002 Å
• c: 16.138 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3975.7 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes