Information card for entry 4303544

Structure parameters

• Common name: 4-formamidobenzaldehyde
• Chemical name: (E)-4-formamidobenzaldehyde
• Formula: C8 H7 N O2
• Calculated formula: C8 H7 N O2
• SMILES: O=Cc1ccc(NC=O)cc1
• Title of publication: Preparation of an Isocyano-β-diketone via its Metal Complexes, by Use of Metal Ions as Protecting Groups
• Authors of publication: Yixun Zhang; Andrew W. Maverick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10512 - 10518
• a: 4.391 ± 0.0015 Å
• b: 6.917 ± 0.002 Å
• c: 11.793 ± 0.003 Å
• α: 90°
• β: 97.81 ± 0.02°
• γ: 90°
• Cell volume: 354.86 ± 0.18 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No