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Information card for entry 2203691
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| Coordinates | 2203691.cif |
|---|---|
| Structure factors | 2203691.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(4-acetylphenyliminomethyl)-1,2-dihydroxybenzene |
|---|---|
| Formula | C15 H13 N O3 |
| Calculated formula | C15 H13 N O3 |
| SMILES | Oc1c(O)c(/C=N/c2ccc(C(=O)C)cc2)ccc1 |
| Title of publication | 3-(4-Acetylphenyliminomethyl)-1,2-dihydroxybenzene |
| Authors of publication | Yüce, Süheyla; Özek, Arzu; Albayrak, Çiǧdem; Odabaşoǧlu, Mustafa; Büyükgüngör, Orhan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 5 |
| Pages of publication | o810 - o812 |
| a | 10.0014 ± 0.0011 Å |
| b | 14.4188 ± 0.0004 Å |
| c | 8.8212 ± 0.001 Å |
| α | 90° |
| β | 104.413 ± 0.009° |
| γ | 90° |
| Cell volume | 1232.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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