Information card for entry 2216394

Structure parameters

• Chemical name: 2-{[2-Chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
• Formula: C14 H9 Cl F3 N O
• Calculated formula: C14 H9 Cl F3 N O
• SMILES: Clc1ccc(cc1/N=C/c1ccccc1O)C(F)(F)F
• Title of publication: 2-{[2-Chloro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
• Authors of publication: Ming-Hua Yang; Yun-Fa Zheng
• Journal of publication: Acta Crystallographica, Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4677 - o4677
• a: 12.979 ± 0.006 Å
• b: 7.418 ± 0.003 Å
• c: 13.881 ± 0.006 Å
• α: 90°
• β: 101.064 ± 0.007°
• γ: 90°
• Cell volume: 1311.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No