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Information card for entry 2242865
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| Coordinates | 2242865.cif |
|---|---|
| Structure factors | 2242865.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Oxo-1,3-thiazolidin-4-iminium chloride |
|---|---|
| Formula | C3 H5 Cl N2 O S |
| Calculated formula | C3 H5 Cl N2 O S |
| SMILES | S1C(N)=[NH+]C(=O)C1.[Cl-] |
| Title of publication | Redetermination of the crystal structure of 2-oxo-1,3-thiazolidin-4-iminium chloride |
| Authors of publication | Muthukumar, Manickam; Karthikeyan, Ammasai; Poovarasan, Madehswaran; Ruckmani, Vadivel; Rajaram, Dhanakotti; Jegan Jeniferc, Simson; Abdul Razak, Ibrahim |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 443 - 446 |
| a | 7.5106 ± 0.0011 Å |
| b | 9.314 ± 0.0013 Å |
| c | 17.343 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1213.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0328 |
| Residual factor for significantly intense reflections | 0.027 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0768 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214085 (current) | 2019-03-12 | cif/ hkl/ Adding structures of 2242865 via cif-deposit CGI script. |
2242865.cif 2242865.hkl |
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Users of the data should acknowledge the original authors of the
structural data.