Information card for entry 7157869

Structure parameters

• Chemical name: 2-(benzylamino)-4,5-diphenylnicotinonitrile
• Formula: C25 H19 N3
• Calculated formula: C25 H19 N3
• Title of publication: Synthesis of multi-substituted pyridines from ylidenemalononitriles and their emission properties.
• Authors of publication: de Souza, Juliana M.; Abdiaj, Irini; Chen, Jiaqi; Hanson, Kenneth; de Oliveira, Kleber T.; McQuade, D. Tyler
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 1991 - 1999
• a: 5.8187 ± 0.0002 Å
• b: 23.8383 ± 0.0006 Å
• c: 13.7274 ± 0.0003 Å
• α: 90°
• β: 97.246 ± 0.002°
• γ: 90°
• Cell volume: 1888.89 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No