Information card for entry 7005665

Structure parameters

• Formula: C13 H11 N3 O2
• Calculated formula: C13 H11 N3 O2
• SMILES: c1cccc(/C=N/NC(=O)c2cc(ccc2)O)n1
• Title of publication: Hydrazone chelators for the treatment of iron overload disorders: iron coordination chemistry and biological activity.
• Authors of publication: Bernhardt, Paul V.; Chin, Piao; Sharpe, Philip C.; Richardson, Des R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 30
• Pages of publication: 3232 - 3244
• a: 4.618 ± 0.001 Å
• b: 22.759 ± 0.003 Å
• c: 10.663 ± 0.003 Å
• α: 90°
• β: 96.98 ± 0.02°
• γ: 90°
• Cell volume: 1112.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1686
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No