Information card for entry 2240821

Structure parameters

• Chemical name: 2-{[2-Methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol
• Formula: C15 H11 F3 N2 O4
• Calculated formula: C15 H11 F3 N2 O4
• Title of publication: Crystal structure of 2-{[2-methoxy-5-(trifluoromethyl)phenyl]iminomethyl}-4-nitrophenol
• Authors of publication: Karadayı, Nevzat; Şahin, Songül; Köysal, Yavuz; Coşkun, Emine; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o466 - o467
• a: 33.0327 ± 0.0016 Å
• b: 33.0327 ± 0.0016 Å
• c: 7.1523 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6758.7 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes