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Information card for entry 7160380
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| Coordinates | 7160380.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 5-(4-(methylsulfonyl)phenyl)thiazole |
|---|---|
| Formula | C11 H10 Cl N O2 S0 |
| Calculated formula | C10 H9 N O3 S |
| Title of publication | PIDA mediated oxidative annulation of aryl methyl ketones: a facile approach for the chemoselective synthesis of 5-substituted oxazoles. |
| Authors of publication | Devaraju, Mohankumar; Prasad Dasappa, Jagadeesh |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2025 |
| Journal volume | 23 |
| Journal issue | 12 |
| Pages of publication | 2891 - 2895 |
| a | 22.6755 ± 0.0009 Å |
| b | 7.06 ± 0.0003 Å |
| c | 16.2241 ± 0.0007 Å |
| α | 90° |
| β | 129.155 ± 0.001° |
| γ | 90° |
| Cell volume | 2014.05 ± 0.15 Å3 |
| Cell temperature | 298.15 K |
| Ambient diffraction temperature | 298.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.1476 |
| Weighted residual factors for all reflections included in the refinement | 0.1648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.209 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299140 (current) | 2025-04-05 | cif/ Updating files of 7160379, 7160380 Original log message: Adding full bibliography for 7160379--7160380.cif. |
7160380.cif |
| 297758 | 2025-02-16 | cif/ Adding structures of 7160379, 7160380 via cif-deposit CGI script. |
7160380.cif |
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