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Information card for entry 2020082
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| Coordinates | 2020082.cif |
|---|---|
| Structure factors | 2020082.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione |
|---|---|
| Formula | C13 H22 N2 S Si2 |
| Calculated formula | C13 H22 N2 S Si2 |
| SMILES | [Si](N1c2c(N([Si](C)(C)C)C1=S)cccc2)(C)(C)C |
| Title of publication | Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione |
| Authors of publication | Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| a | 10.0302 ± 0.0003 Å |
| b | 10.6172 ± 0.0003 Å |
| c | 16.2428 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1729.74 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0975 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.1041 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020082.cif 2020082.hkl |
| 181870 | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/00 |
2020082.cif 2020082.hkl |
| 153366 | 2015-08-13 | cif/ hkl/ Adding structures of 2020082, 2020083 via cif-deposit CGI script. |
2020082.cif 2020082.hkl |
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Users of the data should acknowledge the original authors of the
structural data.