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Information card for entry 2241304
Preview
| Coordinates | 2241304.cif |
|---|---|
| Structure factors | 2241304.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>Z</i>)-3-Allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin- 4-one |
|---|---|
| Formula | C14 H13 N O S2 |
| Calculated formula | C14 H13 N O S2 |
| Title of publication | Crystal structure of (<i>Z</i>)-3-allyl-5-(4-methylbenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Authors of publication | El Ajlaoui, Rahhal; Rakib, El Mostapha; Chigr, Mohammed; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o906 - o907 |
| a | 7.3606 ± 0.0004 Å |
| b | 8.8342 ± 0.0006 Å |
| c | 11.3134 ± 0.0007 Å |
| α | 109.736 ± 0.002° |
| β | 95.38 ± 0.002° |
| γ | 96.502 ± 0.002° |
| Cell volume | 681.1 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1191 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2241304.cif 2241304.hkl |
| 181914 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241304.cif 2241304.hkl |
| 170188 | 2015-11-07 | cif/ hkl/ Adding structures of 2241304 via cif-deposit CGI script. |
2241304.cif 2241304.hkl |
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Users of the data should acknowledge the original authors of the
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