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Information card for entry 2240849
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| Coordinates | 2240849.cif |
|---|---|
| Structure factors | 2240849.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Diazo-4,5-dicyanoimidazole |
|---|---|
| Chemical name | 2-Diazoimidazole-4,5-dicarbonitrile |
| Formula | C5 N6 |
| Calculated formula | C5 N6 |
| SMILES | n1c(nc(c1C#N)C#N)=N#N |
| Title of publication | Crystal structure of 2-diazoimidazole-4,5-dicarbonitrile |
| Authors of publication | Parrish, Damon A.; Kramer, Stephanie; Windler, G. Kenneth; Chavez, David E.; Leonard, Philip W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 7 |
| Pages of publication | o491 |
| a | 8.0746 ± 0.0003 Å |
| b | 8.0746 ± 0.0003 Å |
| c | 16.7315 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 944.73 ± 0.06 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 154 |
| Hermann-Mauguin space group symbol | P 32 2 1 |
| Hall space group symbol | P 32 2" |
| Residual factor for all reflections | 0.0213 |
| Residual factor for significantly intense reflections | 0.021 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0578 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181908 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/08 |
2240849.cif 2240849.hkl |
| 139443 | 2015-06-20 | cif/ hkl/ Adding structures of 2240849 via cif-deposit CGI script. |
2240849.cif 2240849.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.