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Information card for entry 2200591
Preview
| Coordinates | 2200591.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-cyano-2'-nitrodiazoaminobenzene |
|---|---|
| Chemical name | 2-cyano-2'-nitrodiazoaminobenzene |
| Formula | C13 H9 N5 O2 |
| Calculated formula | C13 H9 N5 O2 |
| SMILES | O=N(=O)c1c(NN=Nc2c(cccc2)C#N)cccc1 |
| Title of publication | 2-Cyano-2'-nitrodiazoaminobenzene |
| Authors of publication | O'Brien, John G.; Grousnick, Katherine E.; Baughman, Russell G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o919 - o921 |
| a | 7.208 ± 0.001 Å |
| b | 8.0106 ± 0.0012 Å |
| c | 12.256 ± 0.002 Å |
| α | 79.099 ± 0.007° |
| β | 74.695 ± 0.004° |
| γ | 69.379 ± 0.006° |
| Cell volume | 635.2 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections | 0.1963 |
| Weighted residual factors for all reflections included in the refinement | 0.1594 |
| Goodness-of-fit parameter for all reflections | 1.055 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.182 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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