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Information card for entry 1545648
Preview
| Coordinates | 1545648.cif |
|---|---|
| Structure factors | 1545648.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol |
|---|---|
| Formula | C10 H10 N2 O S |
| Calculated formula | C10 H10 N2 O S |
| SMILES | c12ccccc1nc1n2CC(CS1)O |
| Title of publication | 3,4-Dihydro-2<i>H</i>-benzo[4,5]imidazo[2,1-<i>b</i>][1,3]thiazin-3-ol |
| Authors of publication | El Ouassif, Latifa; El Ghoul, Mostafa; Achour, Redouane; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | x170429 |
| a | 17.57 ± 0.003 Å |
| b | 6.3994 ± 0.001 Å |
| c | 8.869 ± 0.0015 Å |
| α | 90° |
| β | 95.641 ± 0.008° |
| γ | 90° |
| Cell volume | 992.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194512 (current) | 2017-03-25 | cif/ hkl/ Adding structures of 1545648 via cif-deposit CGI script. |
1545648.cif 1545648.hkl |
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Users of the data should acknowledge the original authors of the
structural data.