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Information card for entry 8104701
Preview
| Coordinates | 8104701.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H20 N2 O |
|---|---|
| Calculated formula | C16 H20 N2 O |
| SMILES | Oc1c(NCc2ncccc2)cc(cc1)C(C)(C)C |
| Title of publication | Crystal structure of 4-tert-butyl-2-N-(2-pyridylmethyl)aminophenol, C16H20N2O |
| Authors of publication | Buthelezi, Sipho; Ibrahim, Halliru; Bala, Muhammad D.; Friedrich, Holger B. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 753 - 756 |
| a | 9.7933 ± 0.0002 Å |
| b | 17.529 ± 0.0003 Å |
| c | 17.1148 ± 0.0003 Å |
| α | 90° |
| β | 101.242 ± 0.001° |
| γ | 90° |
| Cell volume | 2881.67 ± 0.09 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0612 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273562 (current) | 2022-03-09 | cif/ Adding structures of 8104701 via cif-deposit CGI script. |
8104701.cif |
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Users of the data should acknowledge the original authors of the
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