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Information card for entry 2205195
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| Coordinates | 2205195.cif |
|---|---|
| Structure factors | 2205195.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(1-Piperidinyl)-1,3-benzothiazole |
|---|---|
| Formula | C12 H14 N2 S |
| Calculated formula | C12 H14 N2 S |
| SMILES | s1c2c(nc1N1CCCCC1)cccc2 |
| Title of publication | 2-(1-Piperidinyl)-1,3-benzothiazole |
| Authors of publication | Alvarez, Ricardo G.; Kennedy, Alan R.; Khalaf, Abedawn I.; Suckling, Colin J.; Waigh, Roger D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 3 |
| Pages of publication | o569 - o570 |
| a | 15.3509 ± 0.0006 Å |
| b | 11.6315 ± 0.0004 Å |
| c | 5.9802 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1067.79 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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