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Information card for entry 2011859
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| Coordinates | 2011859.cif |
|---|---|
| Structure factors | 2011859.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-1-(4-aminophenyl)-2-phenyldiazene 2-oxide |
|---|---|
| Formula | C12 H11 N3 O |
| Calculated formula | C12 H11 N3 O |
| SMILES | O=N(=Nc1ccc(N)cc1)c1ccccc1 |
| Title of publication | Two <i>trans</i>-4-aminoazoxybenzenes |
| Authors of publication | Domański, Andrzej; Ejsmont, Krzysztof; Kyzioł, Janusz B.; Zaleski, Jacek |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | 467 - 470 |
| a | 5.733 ± 0.001 Å |
| b | 11.602 ± 0.002 Å |
| c | 16.038 ± 0.003 Å |
| α | 90° |
| β | 93.16 ± 0.03° |
| γ | 90° |
| Cell volume | 1065.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.051 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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