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Information card for entry 2200516
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| Coordinates | 2200516.cif |
|---|---|
| Structure factors | 2200516.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-fluoro-6-iodobenzonitrile |
|---|---|
| Formula | C7 H3 F I N |
| Calculated formula | C7 H3 F I N |
| SMILES | c1(c(cccc1I)F)C#N |
| Title of publication | 2-Fluoro-6-iodobenzonitrile |
| Authors of publication | Britton, Doyle |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | o702 - o704 |
| a | 8.027 ± 0.0008 Å |
| b | 8.0435 ± 0.0008 Å |
| c | 13.8493 ± 0.0013 Å |
| α | 82.232 ± 0.002° |
| β | 82.359 ± 0.002° |
| γ | 62.242 ± 0.002° |
| Cell volume | 781.52 ± 0.13 Å3 |
| Cell temperature | 174 ± 2 K |
| Ambient diffraction temperature | 174 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| 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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