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Information card for entry 2010218
Preview
| Coordinates | 2010218.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | trans-p,p-dibromoazobenzene |
|---|---|
| Formula | C12 H8 Br2 N2 |
| Calculated formula | C12 H8 Br2 N2 |
| SMILES | Brc1ccc(cc1)/N=N/c1ccc(cc1)Br |
| Title of publication | A novel modification of <i>trans</i>-<i>p</i>,<i>p</i>'-dibromoazobenzene |
| Authors of publication | Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 1818 - 1819 |
| a | 10.1046 ± 0.0014 Å |
| b | 4.7565 ± 0.0011 Å |
| c | 11.677 ± 0.003 Å |
| α | 90° |
| β | 92.09 ± 0.02° |
| γ | 90° |
| Cell volume | 560.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for all reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Goodness-of-fit parameter for all reflections | 1.065 |
| Goodness-of-fit parameter for significantly intense reflections | 1.111 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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