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Information card for entry 1542489
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| Coordinates | 1542489.cif |
|---|---|
| Structure factors | 1542489.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
|---|---|
| Formula | C14 H13 N O2 S2 |
| Calculated formula | C14 H13 N O2 S2 |
| SMILES | c1(cccc(c1)/C=C\1C(=O)N(C(=S)S1)CC=C)OC |
| Title of publication | (<i>Z</i>)-3-Allyl-5-(3-methoxybenzylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
| Authors of publication | El Ajlaoui, Rahhal; Rakib, El Mostapha; Mojahidi, Souad; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 1 |
| Pages of publication | x160052 |
| a | 6.9841 ± 0.0014 Å |
| b | 8.3241 ± 0.0018 Å |
| c | 13.116 ± 0.003 Å |
| α | 89.276 ± 0.009° |
| β | 75.614 ± 0.009° |
| γ | 72.095 ± 0.01° |
| Cell volume | 701.2 ± 0.3 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 | 0.0517 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181861 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1542489.cif 1542489.hkl |
| 177538 | 2016-03-04 | cif/ Updating files of 1542489 Original log message: Adding full bibliography for 1542489.cif. |
1542489.cif 1542489.hkl |
| 176753 | 2016-02-19 | cif/1/54/ Fixing paper titles for structures from IUCrData journal. |
1542489.cif 1542489.hkl |
| 176545 | 2016-02-17 | cif/ hkl/ Adding structures of 1542489 via cif-deposit CGI script. |
1542489.cif 1542489.hkl |
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