Information card for entry 2218815

Structure parameters

• Chemical name: 2-{(<i>E</i>)-({2-[(1<i>E</i>)-(2,4-Dihydroxybenzylidene)amino]phenyl}iminiomethyl)-5-hydroxyphenolate methanol solvate
• Formula: C21 H20 N2 O5
• Calculated formula: C21 H20 N2 O5
• SMILES: Oc1ccc(c([O-])c1)/C=[NH+]/c1ccccc1/N=C/c1c(O)cc(O)cc1.OC
• Title of publication: 2-((<i>E</i>)-{2-[(1<i>E</i>)-(2,4-Dihydroxybenzylidene)amino]phenyl}iminiomethyl)-5-hydroxyphenolate methanol solvate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Chantrapromma, Suchada; Fun, Hoong-Kun; Adnan, Rohana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1246 - o1247
• a: 8.3672 ± 0.0002 Å
• b: 11.0813 ± 0.0002 Å
• c: 20.3217 ± 0.0003 Å
• α: 89.313 ± 0.001°
• β: 80.309 ± 0.001°
• γ: 79.641 ± 0.001°
• Cell volume: 1826.73 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0891
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes