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Information card for entry 2237986
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| Coordinates | 2237986.cif |
|---|---|
| Structure factors | 2237986.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Chloro-2-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C16 H11 Cl N2 S2 |
| Calculated formula | C16 H11 Cl N2 S2 |
| Title of publication | 6-Chloro-2-(thiophen-2-yl)-1-[(thiophen-2-yl)methyl]-1<i>H</i>-benzimidazole |
| Authors of publication | Geiger, David K.; Nellist, Michael R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o807 |
| a | 15.465 ± 0.003 Å |
| b | 6.3578 ± 0.001 Å |
| c | 15.634 ± 0.003 Å |
| α | 90° |
| β | 103.687 ± 0.005° |
| γ | 90° |
| Cell volume | 1493.5 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0715 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1396 |
| Weighted residual factors for all reflections included in the refinement | 0.1482 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKa |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/79. |
2237986.cif 2237986.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2237986.cif 2237986.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237986.cif 2237986.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237986.cif 2237986.hkl |
| 86684 | 2013-07-11 | cif/ Adding structures of 2237986 via cif-deposit CGI script. |
2237986.cif |
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Users of the data should acknowledge the original authors of the
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