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Information card for entry 8107030
Preview
| Coordinates | 8107030.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 N2 S |
|---|---|
| Calculated formula | C15 H12 N2 S |
| SMILES | s1c(nc(c1c1ccccc1)c1ccccc1)N |
| Title of publication | Crystal structure of 4,5-diphenylthiazol-2-amine, C15H12N2S |
| Authors of publication | Ghabbour, Hazem A.; Abdel-Aziz, Hatem A.; AlRabiah, Haitham; Alruqi, Obaid S. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 861 - 862 |
| a | 6.8853 ± 0.0003 Å |
| b | 23.8495 ± 0.001 Å |
| c | 7.5689 ± 0.0003 Å |
| α | 90° |
| β | 96.585 ± 0.002° |
| γ | 90° |
| Cell volume | 1234.7 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0755 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1243 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282384 (current) | 2023-04-05 | cif/ Adding structures of 8107030 via cif-deposit CGI script. |
8107030.cif |
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Users of the data should acknowledge the original authors of the
structural data.