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Information card for entry 2239854
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| Coordinates | 2239854.cif |
|---|---|
| Structure factors | 2239854.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-<i>tert</i>-Butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C10 H12 N2 S |
| Calculated formula | C10 H12 N2 S |
| SMILES | c1(C(C)(C)C)nc2c(cccn2)s1 |
| Title of publication | Crystal structure of 2-<i>tert</i>-butyl-1,3-thiazolo[4,5-<i>b</i>]pyridine |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Masmali, Ali M.; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o932 |
| a | 9.4606 ± 0.0003 Å |
| b | 9.7999 ± 0.0003 Å |
| c | 11.1155 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1030.55 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 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 | 0.0333 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0897 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239854.cif 2239854.hkl |
| 181317 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/98. |
2239854.cif 2239854.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239854.cif 2239854.hkl |
| 121836 | 2014-08-10 | cif/ hkl/ Adding structures of 2239854 via cif-deposit CGI script. |
2239854.cif 2239854.hkl |
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