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Information card for entry 2242909
Preview
| Coordinates | 2242909.cif |
|---|---|
| Structure factors | 2242909.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>,<i>N</i>'-[(Ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide) |
|---|---|
| Formula | C18 H18 N4 O2 S2 |
| Calculated formula | C18 H18 N4 O2 S2 |
| SMILES | S=C(NCCNC(=S)NC(=O)c1ccccc1)NC(=O)c1ccccc1 |
| Title of publication | Crystal structure of <i>N</i>,<i>N</i>'-[(ethane-1,2-diyl)bis(azanediylcarbonothioyl)]bis(benzamide) |
| Authors of publication | Samb, Issa; Gaye, Nango; Sylla-Gueye, Rokhaya; Thiam, Elhadj Ibrahima; Gaye, Mohamed; Retailleau, Pascal |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 642 - 645 |
| a | 11.225 ± 0.0006 Å |
| b | 7.2547 ± 0.0005 Å |
| c | 11.1397 ± 0.0006 Å |
| α | 90° |
| β | 100.978 ± 0.005° |
| γ | 90° |
| Cell volume | 890.55 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214703 (current) | 2019-04-19 | cif/ hkl/ Adding structures of 2242909 via cif-deposit CGI script. |
2242909.cif 2242909.hkl |
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Users of the data should acknowledge the original authors of the
structural data.