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Information card for entry 8107099
Preview
| Coordinates | 8107099.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H10 N2 O S |
|---|---|
| Calculated formula | C13 H10 N2 O S |
| SMILES | c1(c2ccc(cc2)OC)nc2c(cccn2)s1 |
| Title of publication | Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 4 |
| Pages of publication | 1067 - 1068 |
| a | 14.182 ± 0.003 Å |
| b | 5.9674 ± 0.0006 Å |
| c | 26.683 ± 0.004 Å |
| α | 90° |
| β | 101.162 ± 0.017° |
| γ | 90° |
| Cell volume | 2215.5 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1173 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.133 |
| Weighted residual factors for all reflections included in the refinement | 0.1514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282767 (current) | 2023-04-20 | cif/ Adding structures of 8107099 via cif-deposit CGI script. |
8107099.cif |
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Users of the data should acknowledge the original authors of the
structural data.