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Information card for entry 2241399
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| Coordinates | 2241399.cif |
|---|---|
| Structure factors | 2241399.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-Allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
|---|---|
| Formula | C13 H10 Br N O S2 |
| Calculated formula | C13 H10 Br N O S2 |
| SMILES | c1(cccc(c1)/C=C\1C(=O)N(C(=S)S1)CC=C)Br |
| Title of publication | Crystal structure of (<i>Z</i>)-3-allyl-5-(3-bromobenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Authors of publication | El Ajlaoui, Rahhal; Rakib, El Mostapha; Forsal, Issam; 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 | o1010 - o1011 |
| a | 5.4044 ± 0.0006 Å |
| b | 11.2306 ± 0.0013 Å |
| c | 11.7966 ± 0.0013 Å |
| α | 80.1 ± 0.005° |
| β | 84.912 ± 0.006° |
| γ | 76.732 ± 0.006° |
| Cell volume | 685.6 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0678 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241399.cif 2241399.hkl |
| 171481 | 2015-12-13 | cif/ hkl/ Adding structures of 2241399 via cif-deposit CGI script. |
2241399.cif 2241399.hkl |
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Users of the data should acknowledge the original authors of the
structural data.