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Information card for entry 2010628
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| Coordinates | 2010628.cif |
|---|---|
| Structure factors | 2010628.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-cyano-N-(4-methoxybenzylidene)phenylamine N-oxide |
|---|---|
| Formula | C15 H12 N2 O2 |
| Calculated formula | C15 H12 N2 O2 |
| SMILES | N(=O)(=Cc1ccc(OC)cc1)c1ccc(cc1)C#N |
| Title of publication | <i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone |
| Authors of publication | Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 231 - 232 |
| a | 7.5821 ± 0.0016 Å |
| b | 7.613 ± 0.002 Å |
| c | 22.27 ± 0.003 Å |
| α | 99.469 ± 0.016° |
| β | 96.999 ± 0.012° |
| γ | 94.79 ± 0.02° |
| Cell volume | 1251.5 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.103 |
| Residual factor for significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.177 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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