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Information card for entry 2012148
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| Coordinates | 2012148.cif |
|---|---|
| Structure factors | 2012148.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-[(2-nitrophenyl)azo]phenol |
|---|---|
| Formula | C12 H9 N3 O3 |
| Calculated formula | C12 H9 N3 O3 |
| SMILES | Oc1ccc(N=Nc2c(N(=O)=O)cccc2)cc1 |
| Title of publication | Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol |
| Authors of publication | Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 8 |
| Pages of publication | 961 - 964 |
| a | 7.114 ± 0.002 Å |
| b | 7.38 ± 0.002 Å |
| c | 10.849 ± 0.004 Å |
| α | 96.68 ± 0.02° |
| β | 97.49 ± 0.02° |
| γ | 100.54 ± 0.02° |
| Cell volume | 549.4 ± 0.3 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 | 0.067 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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