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Information card for entry 2241296
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| Coordinates | 2241296.cif |
|---|---|
| Structure factors | 2241296.hkl |
| Original IUCr paper | HTML |
| Chemical name | (5<i>Z</i>)-5-(5-Bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione |
|---|---|
| Formula | C10 H6 Br N O3 S |
| Calculated formula | C10 H6 Br N O3 S |
| SMILES | Brc1ccc(O)c(c1)/C=C/1SC(=O)NC1=O |
| Title of publication | Crystal structure of (5<i>Z</i>)-5-(5-bromo-2-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o919 - o920 |
| a | 7.068 ± 0.0007 Å |
| b | 7.677 ± 0.0008 Å |
| c | 9.9977 ± 0.001 Å |
| α | 68.119 ± 0.002° |
| β | 86.049 ± 0.001° |
| γ | 83.658 ± 0.001° |
| Cell volume | 500.1 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0407 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0829 |
| Weighted residual factors for all reflections included in the refinement | 0.085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
2241296.cif 2241296.hkl |
| 170178 | 2015-11-07 | cif/ hkl/ Adding structures of 2241296 via cif-deposit CGI script. |
2241296.cif 2241296.hkl |
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Users of the data should acknowledge the original authors of the
structural data.