Information card for entry 2236273

Structure parameters

• Chemical name: (<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate
• Formula: C16 H18 N2 O6
• Calculated formula: C16 H18 N2 O6
• SMILES: Oc1c(O)c(O)cc(c1)C=NNC(=O)c1ccc(OC)cc1.OC
• Title of publication: (<i>E</i>)-4-Methoxy-<i>N</i>'-(3,4,5-trihydroxybenzylidene)benzohydrazide methanol monosolvate
• Authors of publication: Taha, Muhammad; Naz, Humera; Rahman, Aqilah Abd; Ismail, Nor Hadiani; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2846
• a: 11.1846 ± 0.0007 Å
• b: 11.1909 ± 0.0007 Å
• c: 13.1806 ± 0.0008 Å
• α: 90°
• β: 110.368 ± 0.001°
• γ: 90°
• Cell volume: 1546.61 ± 0.17 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes