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Information card for entry 2240543
Preview
| Coordinates | 2240543.cif |
|---|---|
| Structure factors | 2240543.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
|---|---|
| Chemical name | 2-(1-Methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
| Formula | C9 H10 N2 S |
| Calculated formula | C9 H10 N2 S |
| SMILES | c1(C(C)C)nc2c(cccn2)s1 |
| Title of publication | Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | o272 - o273 |
| a | 9.6376 ± 0.0002 Å |
| b | 10.1602 ± 0.0002 Å |
| c | 8.9254 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 873.97 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0215 |
| Residual factor for significantly intense reflections | 0.0213 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240543.cif 2240543.hkl |
| 181905 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240543.cif 2240543.hkl |
| 181325 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/05. |
2240543.cif 2240543.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240543.cif 2240543.hkl |
| 134595 | 2015-04-02 | cif/ hkl/ Adding structures of 2240543 via cif-deposit CGI script. |
2240543.cif 2240543.hkl |
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Users of the data should acknowledge the original authors of the
structural data.