Information card for entry 2234143

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol
• Formula: C18 H12 F3 N O2
• Calculated formula: C18 H12 F3 N O2
• SMILES: c1(cc2ccccc2cc1)/N=C/c1cc(ccc1O)OC(F)(F)F
• Title of publication: 2-[(<i>E</i>)-(Naphthalen-2-ylimino)methyl]-4-(trifluoromethoxy)phenol
• Authors of publication: Pekdemir, Merve; Şahin, Zarife Sibel; Işık, Şamil; Alaman Ağar, Ayşen; Öztürk Yıldırım, Sema; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1024
• a: 17.0813 ± 0.001 Å
• b: 14.1248 ± 0.0008 Å
• c: 6.19 ± 0.0005 Å
• α: 90°
• β: 99.669 ± 0.006°
• γ: 90°
• Cell volume: 1472.25 ± 0.17 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes