Information card for entry 2226647

Structure parameters

• Chemical name: (<i>E</i>)-4-Hydroxy-2-[(2-hydroxyphenyl)iminiomethyl]phenolate
• Formula: C13 H11 N O3
• Calculated formula: C13 H11 N O3
• SMILES: Oc1c(/[NH+]=C/c2c([O-])ccc(O)c2)cccc1
• Title of publication: (<i>E</i>)-4-Hydroxy-2-[(2-hydroxyphenyl)iminiomethyl]phenolate
• Authors of publication: Eltayeb, Naser Eltaher; Teoh, Siang Guan; Fun, Hoong-Kun; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1536 - o1537
• a: 11.048 ± 0.005 Å
• b: 8.187 ± 0.003 Å
• c: 22.858 ± 0.01 Å
• α: 90°
• β: 102.242 ± 0.013°
• γ: 90°
• Cell volume: 2020.5 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes