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Information card for entry 2240793
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| Coordinates | 2240793.cif |
|---|---|
| Structure factors | 2240793.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-Allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one |
|---|---|
| Formula | C11 H9 N O S3 |
| Calculated formula | C11 H9 N O S3 |
| SMILES | c1ccc(/C=C2/C(=O)N(C(=S)S2)CC=C)s1 |
| Title of publication | Crystal structure of (<i>E</i>)-3-allyl-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]thiazolidin-4-one |
| Authors of publication | El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | o433 - o434 |
| a | 6.7342 ± 0.0002 Å |
| b | 7.3762 ± 0.0002 Å |
| c | 13.2917 ± 0.0005 Å |
| α | 79.386 ± 0.002° |
| β | 80.104 ± 0.002° |
| γ | 68.908 ± 0.001° |
| Cell volume | 601.44 ± 0.03 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 | 0.0677 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| 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 | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240793.cif 2240793.hkl |
| 137554 | 2015-05-30 | cif/ hkl/ Adding structures of 2240793 via cif-deposit CGI script. |
2240793.cif 2240793.hkl |
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Users of the data should acknowledge the original authors of the
structural data.