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Information card for entry 2239383
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| Coordinates | 2239383.cif |
|---|---|
| Structure factors | 2239383.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 1-Methyl-3-phenylimidazolidine-2-thione |
|---|---|
| Formula | C10 H12 N2 S |
| Calculated formula | C10 H12 N2 S |
| SMILES | CN1CCN(C1=S)c1ccccc1 |
| Title of publication | 1-Methyl-3-phenylimidazolidine-2-thione |
| Authors of publication | Nor, Nabihah Al Muna Mohd; Abdullah, Zanariah; Ng, Seik Weng; Tiekink, Edward R. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | o334 |
| a | 7.5159 ± 0.0001 Å |
| b | 14.0478 ± 0.0003 Å |
| c | 18.205 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1922.12 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0341 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239383.cif 2239383.hkl |
| 181893 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/93. |
2239383.cif 2239383.hkl |
| 181312 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/93. |
2239383.cif 2239383.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239383.cif 2239383.hkl |
| 110666 | 2014-04-19 | cif/ hkl/ Adding structures of 2239383 via cif-deposit CGI script. |
2239383.cif 2239383.hkl |
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