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Information card for entry 2206976
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| Coordinates | 2206976.cif |
|---|---|
| Structure factors | 2206976.hkl |
| Original IUCr paper | HTML |
| Common name | 4-Hexylaminophenol |
|---|---|
| Chemical name | 4-(n-Hexylamino)phenol |
| Formula | C12 H19 N O |
| Calculated formula | C12 H19 N O |
| SMILES | Oc1ccc(NCCCCCC)cc1 |
| Title of publication | 4-(Hexylamino)phenol |
| Authors of publication | Herrera, Ana M.; Bernès, Sylvain; López, Delia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | o3210 - o3211 |
| a | 4.7016 ± 0.0006 Å |
| b | 10.1325 ± 0.0014 Å |
| c | 26.273 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1251.6 ± 0.3 Å3 |
| Cell temperature | 296 ± 1 K |
| Ambient diffraction temperature | 296 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0531 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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