Information card for entry 2237592

Structure parameters

• Chemical name: 1-{(<i>E</i>)-[4-Bromo-2-(trifluoromethoxy)phenyl]iminomethyl}naphthalen-2-ol
• Formula: C18 H11 Br F3 N O2
• Calculated formula: C18 H11 Br F3 N O2
• SMILES: c1(c(ccc2ccccc12)O)/C=N/c1ccc(cc1OC(F)(F)F)Br
• Title of publication: 1-{(<i>E</i>)-[4-Bromo-2-(trifluoromethoxy)phenyl]iminomethyl}naphthalen-2-ol
• Authors of publication: Kargılı, Hakan; Macit, Mustafa; Alpaslan, Gökhan; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o535
• a: 4.5315 ± 0.0003 Å
• b: 16.3228 ± 0.0007 Å
• c: 21.7622 ± 0.0012 Å
• α: 90°
• β: 93.025 ± 0.004°
• γ: 90°
• Cell volume: 1607.44 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0995
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes