Information card for entry 7053562

Structure parameters

• Common name: (Z)-N-(4-methylpyridin-2-yl)-2-(phenylamino)-2- (phenylimino)ethanamide
• Chemical name: (Z)-N-(4-methylpyridin-2-yl)-2-(phenylamino)-2-(phenylimino)ethanamide
• Formula: C20 H18 N4 O
• Calculated formula: C20 H18 N4 O
• 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: 13.5564 ± 0.0003 Å
• b: 10.157 ± 0.0003 Å
• c: 13.3227 ± 0.0004 Å
• α: 90°
• β: 109.473 ± 0.001°
• γ: 90°
• Cell volume: 1729.5 ± 0.08 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: 0.1014
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No