Information card for entry 7042908

Structure parameters

• Chemical name: 5-(2-hydroxyethoxy)-2-{[(2-methylpyridinyl)-E-imino]methyl}phenol
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: n1ccccc1C/N=C/c1c(cc(cc1)OCCO)O
• 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: 5.3704 ± 0.0002 Å
• b: 20.052 ± 0.0005 Å
• c: 12.499 ± 0.0004 Å
• α: 90°
• β: 100.513 ± 0.0015°
• γ: 90°
• Cell volume: 1323.39 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.99 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: 0.0774
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No