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Information card for entry 2242187
Preview
| Coordinates | 2242187.cif |
|---|---|
| Structure factors | 2242187.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
|---|---|
| Formula | C9 H8 N2 O2 S3 |
| Calculated formula | C9 H8 N2 O2 S3 |
| Title of publication | Crystal structure of <i>N</i>-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-2-(thiophen-3-yl)acetamide |
| Authors of publication | Vu Quoc, Trung; Nguyen Ngoc, Linh; Nguyen Tien, Cong; Thang Pham, Chien; Van Meervelt, Luc |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 901 - 904 |
| a | 9.6205 ± 0.0003 Å |
| b | 10.8252 ± 0.0003 Å |
| c | 11.5073 ± 0.0003 Å |
| α | 97.836 ± 0.002° |
| β | 102.72 ± 0.002° |
| γ | 95.047 ± 0.002° |
| Cell volume | 1149.42 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.077 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199157 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242187 via cif-deposit CGI script. |
2242187.cif 2242187.hkl |
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Users of the data should acknowledge the original authors of the
structural data.