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Information card for entry 2009074
Preview
| Coordinates | 2009074.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C11 H12 Cl N O2 |
|---|---|
| Calculated formula | C11 H12 Cl N O2 |
| SMILES | CC(=C/C(=O)C)/Nc1cc(Cl)ccc1O |
| Title of publication | 4-Chloro-2-(4-oxopent-2-en-2-ylamino)phenol |
| Authors of publication | Arici, Cengiz; Tahir, M. Nawaz; Ülkü, Dinçer; Atakol, Orhan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1691 - 1692 |
| a | 10.1911 ± 0.0011 Å |
| b | 11.3039 ± 0.0013 Å |
| c | 11.0983 ± 0.0011 Å |
| α | 90° |
| β | 115.83 ± 0.002° |
| γ | 90° |
| Cell volume | 1150.8 ± 0.2 Å3 |
| Cell temperature | 295 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 significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.045 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.71073 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.