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Information card for entry 2003349
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| Coordinates | 2003349.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C17 H14 N2 O2 |
|---|---|
| Calculated formula | C17 H14 N2 O2 |
| SMILES | Cc1ccccc1/N=N/C1(C)C(=O)c2c(C1=O)cccc2 |
| Title of publication | 2-Methyl-2-(2-methylphenylazo)-1,3-indandione |
| Authors of publication | Özbey, S.; Kendi, E.; İde, S.; Mak, T. C. W. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 4 |
| Pages of publication | 707 - 709 |
| a | 8.205 ± 0.002 Å |
| b | 14.321 ± 0.005 Å |
| c | 12.838 ± 0.004 Å |
| α | 90° |
| β | 107.73 ± 0.02° |
| γ | 90° |
| Cell volume | 1436.9 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| 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 | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.0565 |
| 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.