Information card for entry 7124505

Structure parameters

• Chemical name: N-(2-{3-(benzyloxy)-2-methyl-4-oxopyridin-1(4H)-yl}ethyl)-2-methylprop-2-enamide
• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• Title of publication: DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.
• Authors of publication: Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias
• Journal of publication: MedChemComm
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 7
• Pages of publication: 1206 - 1212
• a: 7.24927 ± 0.00018 Å
• b: 12.5565 ± 0.0003 Å
• c: 19.2992 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1756.72 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No