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Information card for entry 2204934
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| Coordinates | 2204934.cif |
|---|---|
| Structure factors | 2204934.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-Amino-3-methyl-2,3-dihydro-1,3-benzothiazoliminium chloride monohydrate |
|---|---|
| Formula | C8 H12 Cl N3 O S |
| Calculated formula | C8 H12 Cl N3 O S |
| Title of publication | <i>N</i>-Amino-3-methyl-2,3-dihydro-1,3-benzothiazoliminium chloride monohydrate |
| Authors of publication | Yathirajan, Hemmige S.; Narasegowda, Rajenahally S.; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 1 |
| Pages of publication | o176 - o178 |
| a | 21.0397 ± 0.0019 Å |
| b | 11.6598 ± 0.0012 Å |
| c | 8.6694 ± 0.0008 Å |
| α | 90° |
| β | 92.935 ± 0.007° |
| γ | 90° |
| Cell volume | 2124 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0232 |
| Weighted residual factors for significantly intense reflections | 0.0631 |
| Weighted residual factors for all reflections included in the refinement | 0.064 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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