Information card for entry 1517989

Structure parameters

• Chemical name: (E)-4-((2-hydroxyethylimino) methyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol
• Formula: C10 H14 N2 O3
• Calculated formula: C10 H14 N2 O3
• SMILES: Oc1c(c(CO)cnc1C)/C=N/CCO
• Title of publication: Water-soluble pyridine-based colorimetric chemosensor for naked eye detection of silver ions: design, synthesis, spectral and theoretical investigation
• Authors of publication: Annaraj, B.; Neelakantan, M. A.
• Journal of publication: Anal. Methods
• Year of publication: 2014
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 9610
• a: 16.3383 ± 0.0013 Å
• b: 9.6603 ± 0.0013 Å
• c: 13.6431 ± 0.0012 Å
• α: 90°
• β: 113.262 ± 0.007°
• γ: 90°
• Cell volume: 1978.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0605
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1483
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No