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Information card for entry 2239061
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| Coordinates | 2239061.cif |
|---|---|
| Structure factors | 2239061.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one |
|---|---|
| Formula | C17 H13 N O2 |
| Calculated formula | C17 H13 N O2 |
| SMILES | Oc1ccc(cc1)N/C=C1\C(=O)C=Cc2c1cccc2 |
| Title of publication | 1-[(4-Hydroxyanilino)methylidene]naphthalen-2(1<i>H</i>)-one |
| Authors of publication | Chahmana, Safia; Benghanem, Fatiha; Keraghel, Saida; Ourari, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o107 |
| a | 6.1997 ± 0.0007 Å |
| b | 12.9145 ± 0.0015 Å |
| c | 16.591 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1328.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0992 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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