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Information card for entry 2006384
Preview
| Coordinates | 2006384.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C19 H16 N2 O S |
|---|---|
| Calculated formula | C19 H16 N2 O S |
| SMILES | s1c(/N=C/c2c(O)ccc3ccccc23)c(c(c1C)CC)C#N |
| Title of publication | 4-Ethyl-2-(2-hydroxynaphthylmethylidene)amino-5-methyl-3-thiophenecarbonitrile |
| Authors of publication | Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla; Ertüzün, Vedia |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1158 - 1160 |
| a | 8.362 ± 0.002 Å |
| b | 16.727 ± 0.002 Å |
| c | 11.554 ± 0.002 Å |
| α | 90° |
| β | 95.561 ± 0.002° |
| γ | 90° |
| Cell volume | 1608.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections | 0.118 |
| Weighted residual factors for significantly intense reflections | 0.111 |
| Goodness-of-fit parameter for all reflections | 1.122 |
| Goodness-of-fit parameter for significantly intense reflections | 1.215 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.