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Information card for entry 2241249
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| Coordinates | 2241249.cif |
|---|---|
| Structure factors | 2241249.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-(3-Nitrophenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C12 H7 N3 O2 S |
| Calculated formula | C12 H7 N3 O2 S |
| SMILES | c12c(nccc1)nc(c1cc(ccc1)N(=O)=O)s2 |
| Title of publication | Crystal structure of 2-(3-nitrophenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
| Authors of publication | El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Ajarim, Mansour D.; Kariuki, Benson M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o877 |
| a | 9.5596 ± 0.0002 Å |
| b | 9.8733 ± 0.0002 Å |
| c | 11.5606 ± 0.0003 Å |
| α | 90° |
| β | 98.122 ± 0.002° |
| γ | 90° |
| Cell volume | 1080.2 ± 0.04 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0339 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0859 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241249.cif 2241249.hkl |
| 169842 | 2015-10-29 | cif/ hkl/ Adding structures of 2241249 via cif-deposit CGI script. |
2241249.cif 2241249.hkl |
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Users of the data should acknowledge the original authors of the
structural data.