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Information card for entry 2011710
Preview
| Coordinates | 2011710.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-Methylindole-3-carboxyaldehyde oxime |
|---|---|
| Formula | C10 H10 N2 O |
| Calculated formula | C10 H10 N2 O |
| SMILES | c1ccc2c(c1)c(cn2C)/C=N\O |
| Title of publication | 1-Methylindole-3-carboxaldehyde oxime derivatives |
| Authors of publication | Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 58 - 61 |
| a | 13.462 ± 0.004 Å |
| b | 5.079 ± 0.004 Å |
| c | 14.127 ± 0.004 Å |
| α | 90 ± 0.04° |
| β | 111.53 ± 0.04° |
| γ | 90 ± 0.04° |
| Cell volume | 898.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.144 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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