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Information card for entry 2011239
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| Coordinates | 2011239.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | PCH3ON2 |
|---|---|
| Chemical name | 4-phenyl-2-[4-Methoxyphenyldiazenyl]phenol |
| Formula | C19 H16 N2 O2 |
| Calculated formula | C19 H16 N2 O2 |
| SMILES | Oc1c(N=Nc2ccc(OC)cc2)cc(cc1)c1ccccc1 |
| Title of publication | 2-(4-Methoxyphenylazo)-4-phenylphenol |
| Authors of publication | Jiménez-Cruz, Federico; Pérez-Caballero, Guadalupe; Hernández-Ortega, Simón; Rubio-Arroyo, Manuel |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 8 |
| Pages of publication | 1028 - 1029 |
| a | 6.449 ± 0.002 Å |
| b | 8.638 ± 0.002 Å |
| c | 28.414 ± 0.017 Å |
| α | 90° |
| β | 90.48 ± 0.04° |
| γ | 90° |
| Cell volume | 1582.8 ± 1.1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.1232 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.767 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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