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Information card for entry 8107719
Preview
| Coordinates | 8107719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemi- carbazide |
|---|---|
| Formula | C10 H12 Br N3 S |
| Calculated formula | C10 H12 Br N3 S |
| SMILES | Brc1ccc(NC(=S)NN=C(C)C)cc1 |
| Title of publication | Crystal structure of 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemicarbazide, C10H12BrN3S |
| Authors of publication | Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 67 - 68 |
| a | 8.561 ± 0.0002 Å |
| b | 11.012 ± 0.0003 Å |
| c | 13.214 ± 0.0004 Å |
| α | 90° |
| β | 107.345 ± 0.001° |
| γ | 90° |
| Cell volume | 1189.09 ± 0.06 Å3 |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288215 (current) | 2023-12-11 | cif/ Adding structures of 8107719 via cif-deposit CGI script. |
8107719.cif |
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Users of the data should acknowledge the original authors of the
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