Information card for entry 7042910

Structure parameters

• Chemical name: 4-{[(2-methylpyridinyl)-E-imino]methyl}-benzene-1,3-diol
• Formula: C13 H12 N2 O2
• Calculated formula: C13 H12 N2 O2
• SMILES: n1ccccc1C/N=C/c1c(O)cc(O)cc1
• Title of publication: Glycosylated metal chelators as anti-parasitic agents with tunable selectivity.
• Authors of publication: Reddy, Andrew; Sangenito, Leandro Stefano; Guedes, Arthur de Azevedo; Branquinha, Marta Helena; Kavanagh, Kevin; McGinley, John; Dos Santos, André Luis Souza; Velasco-Torrijos, Trinidad
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5297 - 5307
• a: 22.8835 ± 0.0013 Å
• b: 5.7669 ± 0.0003 Å
• c: 18.6703 ± 0.001 Å
• α: 90°
• β: 112.598 ± 0.0015°
• γ: 90°
• Cell volume: 2274.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.92 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: 0.0529
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No