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Information card for entry 2242377
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| Coordinates | 2242377.cif |
|---|---|
| Structure factors | 2242377.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-4-Bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol |
|---|---|
| Formula | C16 H16 Br N O3 |
| Calculated formula | C16 H16 Br N O3 |
| SMILES | c1(c(c(cc(c1)Br)OCC)O)/C=N/c1c(cccc1)OC |
| Title of publication | Synthesis, crystal structure and computational studies of a new Schiff base compound: (<i>E</i>)-4-bromo-2-ethoxy-6-{[(2-methoxyphenyl)imino]methyl}phenol |
| Authors of publication | Özek Yıldırım, Arzu; Gülsu, Murat; Albayrak Kaştaş, Çiğdem |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 319 - 322 |
| a | 15.3405 ± 0.0008 Å |
| b | 6.5204 ± 0.0002 Å |
| c | 15.3612 ± 0.001 Å |
| α | 90° |
| β | 98.716 ± 0.005° |
| γ | 90° |
| Cell volume | 1518.78 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0589 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.0847 |
| Weighted residual factors for all reflections included in the refinement | 0.0911 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206300 (current) | 2018-02-08 | cif/ hkl/ Adding structures of 2242377 via cif-deposit CGI script. |
2242377.cif 2242377.hkl |
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Users of the data should acknowledge the original authors of the
structural data.