Information card for entry 2244109

Structure parameters

• Chemical name: 2,2'-(Phenylazanediyl)bis(1-phenylethan-1-one)
• Formula: C22 H19 N O2
• Calculated formula: C22 H19 N O2
• SMILES: c1(ccccc1)N(CC(=O)c1ccccc1)CC(=O)c1ccccc1
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2,2'-(phenylazanediyl)bis(1-phenylethan-1-one)
• Authors of publication: Naghiyev, Farid N.; Khrustalev, Victor N.; Safronenko, Marina G.; Akkurt, Mehmet; Khalilov, Ali N.; Bhattarai, Ajaya; Mamedov, İbrahim G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 7
• a: 20.8269 ± 0.0002 Å
• b: 9.09843 ± 0.0001 Å
• c: 9.0158 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1708.42 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes