Information card for entry 7053561

Structure parameters

• Common name: (Z)-2-(phenylamino)-2-(phenylimino)-N-(pyridin-2-yl)ethanamide
• Chemical name: (Z)-2-(phenylamino)-2-(phenylimino)-N-(pyridin-2-yl)ethanamide
• Formula: C19 H16 N4 O
• Calculated formula: C19 H16 N4 O
• SMILES: N(C(=N\c1ccccc1)/C(=O)Nc1ncccc1)c1ccccc1
• Title of publication: Mechanisms of reactions conducted on α-amido-α-aminonitrones, determined based on the structures of their crystalline products and DFT calculations
• Authors of publication: Trzewik, Bartosz; Seidler, Tomasz; Brocławik, Ewa; Stadnicka, Katarzyna
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 2220
• a: 26.1851 ± 0.0008 Å
• b: 9.1055 ± 0.0003 Å
• c: 13.7491 ± 0.0006 Å
• α: 90°
• β: 98.881 ± 0.001°
• γ: 90°
• Cell volume: 3238.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No