Information card for entry 4519415

Structure parameters

• Chemical name: (E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol
• Formula: C15 H12 F3 N O2
• Calculated formula: C15 H12 F2.994 N O2
• Title of publication: Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.
• Authors of publication: Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.
• Journal of publication: ACS omega
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 11
• Pages of publication: 9867 - 9878
• a: 26.638 ± 0.003 Å
• b: 13.754 ± 0.002 Å
• c: 7.5085 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2751 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A e a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No