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Information card for entry 2240905
Preview
| Coordinates | 2240905.cif |
|---|---|
| Structure factors | 2240905.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C13 H10 N2 S |
| Calculated formula | C13 H10 N2 S |
| SMILES | c1(c2c(cccc2)C)nc2c(cccn2)s1 |
| Title of publication | Crystal structure of 2-(2-methylphenyl)-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 | 8 |
| Pages of publication | o562 - o563 |
| a | 7.6702 ± 0.0001 Å |
| b | 12.6492 ± 0.0003 Å |
| c | 22.9821 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2229.77 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0995 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240905.cif 2240905.hkl |
| 140989 | 2015-07-08 | cif/ hkl/ Adding structures of 2240905 via cif-deposit CGI script. |
2240905.cif 2240905.hkl |
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Users of the data should acknowledge the original authors of the
structural data.