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Information card for entry 7249562
Preview
| Coordinates | 7249562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H15 Cl N2 O2 S |
|---|---|
| Calculated formula | C18 H15 Cl N2 O2 S |
| Title of publication | Reaction of unsymmetrical α-bromo-1,3-diketones with N-substituted thioureas: regioselective access to 2-(N-arylamino)-5-acyl-4-methylthiazoles and/or rearranged 2-(N-acylimino)-3-N-aryl-4-methylthiazoles |
| Authors of publication | Aggarwal, Ranjana; Sharma, Shilpa; Jain, Naman; Sanz, Dionisia; Claramunt, Rosa M.; Delgado, Patricia; Torralba, M. Carmen |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 48 |
| Pages of publication | 35585 - 35600 |
| a | 9.4627 ± 0.001 Å |
| b | 9.6608 ± 0.001 Å |
| c | 11.0027 ± 0.0011 Å |
| α | 107.81 ± 0.002° |
| β | 110.578 ± 0.002° |
| γ | 96.95 ± 0.002° |
| Cell volume | 866.57 ± 0.16 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 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 | 0.0994 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1115 |
| Weighted residual factors for all reflections included in the refinement | 0.1292 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.97 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295850 (current) | 2024-11-09 | cif/ Adding structures of 7249561, 7249562, 7249563 via cif-deposit CGI script. |
7249562.cif |
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Users of the data should acknowledge the original authors of the
structural data.