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Information card for entry 1544772
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| Coordinates | 1544772.cif |
|---|---|
| Structure factors | 1544772.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole |
|---|---|
| Formula | C9 H8 N2 S |
| Calculated formula | C9 H8 N2 S |
| SMILES | S1c2nc3ccccc3n2CC1 |
| Title of publication | 2,3-Dihydrobenz[4,5]imidazo[2,1-<i>b</i>]thiazole |
| Authors of publication | Moussaif, Ahmed; Ramli, Youssef; Sebbar, Nada Kheira; Essassi, El Mokhtar; Mague, Joel T. |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 12 |
| Pages of publication | x161948 |
| a | 12.744 ± 0.0008 Å |
| b | 11.482 ± 0.0007 Å |
| c | 12.8707 ± 0.0008 Å |
| α | 90° |
| β | 118.234 ± 0.001° |
| γ | 90° |
| Cell volume | 1659.25 ± 0.18 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1182 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189043 (current) | 2016-12-10 | cif/ hkl/ Adding structures of 1544772 via cif-deposit CGI script. |
1544772.cif 1544772.hkl |
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Users of the data should acknowledge the original authors of the
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