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Information card for entry 2023142
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| Coordinates | 2023142.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-(1,3-Benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea |
|---|---|
| Formula | C15 H10 Br N3 O S2 |
| Calculated formula | C15 H10 Br N3 O S2 |
| Title of publication | Crystal structure of 1-(1,3-benzothiazol-2-yl)-3-(4-bromobenzoyl)thiourea |
| Authors of publication | Sow, Salif; Thiam, Mariama; Odame, Felix; Thiam, Elhadj Ibrahima; Diouf, Ousmane; Ellena, Javier; Gaye, Mohamed; Tshentu, Zenixole |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 6 |
| Pages of publication | 663 - 666 |
| a | 13.5009 ± 0.0005 Å |
| b | 6.413 ± 0.0002 Å |
| c | 17.9147 ± 0.0007 Å |
| α | 90° |
| β | 103.606 ± 0.004° |
| γ | 90° |
| Cell volume | 1507.55 ± 0.1 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0334 |
| Residual factor for significantly intense reflections | 0.024 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.057 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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