Information card for entry 2242873

Structure parameters

• Chemical name: (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol
• Formula: C15 H12 F3 N O3
• Calculated formula: C15 H12 F3 N O3
• Title of publication: (<i>Z</i>)-3-({[3-Methoxy-5-(trifluoromethyl)phenyl]imino}methyl)benzene-1,2-diol
• Authors of publication: Demir Kanmazalp, Sibel; Doĝan, Onur Erman; Dege, Necmi; Aĝar, Erbil; Bulbul, Hakan; Golenya, Irina A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 470 - 474
• a: 30.79 ± 0.003 Å
• b: 9.0703 ± 0.0006 Å
• c: 4.8579 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1356.69 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes