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Information card for entry 2238926
Preview
| Coordinates | 2238926.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile |
|---|---|
| Formula | C19 H15 N3 O |
| Calculated formula | C19 H15 N3 O |
| SMILES | COc1nc(cc(c1C#N)c1ccccc1)c1ccc(cc1)N |
| Title of publication | 6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile |
| Authors of publication | Suwunwong, Thitipone; Chantrapromma, Suchada; Quah, Ching Kheng; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1816 - o1817 |
| a | 10.9448 ± 0.0012 Å |
| b | 18.96 ± 0.002 Å |
| c | 7.4738 ± 0.0008 Å |
| α | 90° |
| β | 94.743 ± 0.002° |
| γ | 90° |
| Cell volume | 1545.6 ± 0.3 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0676 |
| Residual factor for significantly intense reflections | 0.0457 |
| Weighted residual factors for significantly intense reflections | 0.1274 |
| Weighted residual factors for all reflections included in the refinement | 0.1425 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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