Information card for entry 2009359

Structure parameters

• Chemical name: 2-furfuryl isonicotinoyl hydrazone
• Formula: C11 H9 N3 O2
• Calculated formula: C11 H9 N3 O2
• SMILES: o1c(C=NNC(=O)c2ccncc2)ccc1
• Title of publication: The biologically active iron chelators 2-pyridylcarboxaldehyde isonicotinoylhydrazone, 2-pyridylcarboxaldehyde benzoylhydrazone monohydrate and 2-furaldehyde isonicotinoylhydrazone
• Authors of publication: Richardson, Des R.; Becker, Erika; Bernhardt, Paul V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2102 - 2105
• a: 14.188 ± 0.003 Å
• b: 5.285 ± 0.0003 Å
• c: 26.954 ± 0.006 Å
• α: 90°
• β: 93.55 ± 0.01°
• γ: 90°
• Cell volume: 2017.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.18
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No