Information card for entry 2009357

Structure parameters

• Chemical name: 2-pyridylcarboxaldehyde isonicotinoyl hydrazone
• Formula: C12 H10 N4 O
• Calculated formula: C12 H10 N4 O
• SMILES: N(=C\c1ncccc1)/NC(=O)c1ccncc1
• 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: 43.749 ± 0.01 Å
• b: 20.984 ± 0.002 Å
• c: 4.598 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4221.1 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No