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Information card for entry 2311535
Preview
| Coordinates | 2311535.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | RNC |
|---|---|
| Chemical name | 2,6-Dibromo-4-methylphenyl isocyanide |
| Formula | C8 H5 Br2 N |
| Calculated formula | C8 H5 Br2 N |
| Title of publication | Crystal structures of 2,6-di-bromo-4-methyl-benzo-nitrile and 2,6-di-bromo-4-methyl-phenyl isocyanide. |
| Authors of publication | Noland, Wayland E.; Shudy, Jessica E.; Rieger, Janel L.; Tu, Zoe H.; Tritch, Kenneth J. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | Pt 12 |
| Pages of publication | 1913 - 1916 |
| a | 14.69 ± 0.005 Å |
| b | 14.69 ± 0.005 Å |
| c | 4.0703 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 878.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 113 |
| Hermann-Mauguin space group symbol | P -4 21 m |
| Hall space group symbol | P -4 2ab |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245963 (current) | 2019-12-25 | cif/ Adding structures of 2311534, 2311535 via cif-deposit CGI script. |
2311535.cif |
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