Information card for entry 7157871

Structure parameters

• Chemical name: 2-(benzylamino)-5-chloro-4-methylnicotinonitrile
• Formula: C28 H24 Cl2 N6
• Calculated formula: C28 H24 Cl2 N6
• 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: 7.6769 ± 0.0002 Å
• b: 12.7598 ± 0.0004 Å
• c: 13.4914 ± 0.0003 Å
• α: 77.32 ± 0.002°
• β: 82.364 ± 0.002°
• γ: 74.894 ± 0.003°
• Cell volume: 1240.75 ± 0.06 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No