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Information card for entry 2203182
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| Coordinates | 2203182.cif |
|---|---|
| Structure factors | 2203182.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-phenyldiazenyl-6-methoxysalicylaldehyde |
|---|---|
| Formula | C14 H12 N2 O3 |
| Calculated formula | C14 H12 N2 O3 |
| SMILES | c1(ccccc1)N=Nc1cc(c(c(c1)OC)O)C=O |
| Title of publication | 6-Methoxy-5-(phenyldiazenyl)salicylaldehyde |
| Authors of publication | Ersanlı, Cem Cüneyt; Odabas̨oǧlu, Mustafa; Albayrak, Çiǧdem; Erdönmez, Ahmet |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | o230 - o231 |
| a | 10.6039 ± 0.0011 Å |
| b | 12.9904 ± 0.0014 Å |
| c | 18.1168 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2495.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.841 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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