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Information card for entry 2202217
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| Coordinates | 2202217.cif |
|---|---|
| Structure factors | 2202217.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-[3,5-bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine |
|---|---|
| Formula | C16 H11 F6 N O2 |
| Calculated formula | C16 H11 F6 N O2 |
| SMILES | COc1cccc(c1O)/C=N/c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
| Title of publication | <i>N</i>-[3,5-Bis(trifluoromethyl)phenyl]-3-methoxysalicylaldimine |
| Authors of publication | Karadayı, Nevzat; Gözüyes̨il, Sanem; Güzel, Bilgehan; Kazak ,Canan; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 6 |
| Pages of publication | o851 - o853 |
| a | 7.213 ± 0.0014 Å |
| b | 29.196 ± 0.004 Å |
| c | 7.887 ± 0.0016 Å |
| α | 90° |
| β | 116.14 ± 0.005° |
| γ | 90° |
| Cell volume | 1491 ± 0.5 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.0956 |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.1732 |
| Weighted residual factors for all reflections included in the refinement | 0.1949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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