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Information card for entry 2214406
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| Coordinates | 2214406.cif |
|---|---|
| Structure factors | 2214406.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Hydroxysalicylaldoxime |
|---|---|
| Formula | C7 H7 N O3 |
| Calculated formula | C7 H7 N O3 |
| SMILES | ON=Cc1c(O)c(O)ccc1 |
| Title of publication | 3-Hydroxysalicylaldoxime |
| Authors of publication | Peter A. Wood; Ross S. Forgan; Simon Parsons; Elna Pidcock; Peter A. Tasker |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 7 |
| Pages of publication | o3131 - o3131 |
| a | 13.4603 ± 0.001 Å |
| b | 3.7507 ± 0.0003 Å |
| c | 14.8398 ± 0.0011 Å |
| α | 90° |
| β | 114.531 ± 0.005° |
| γ | 90° |
| Cell volume | 681.57 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0601 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for all reflections | 0.1173 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9869 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
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