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Information card for entry 2237941
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| Coordinates | 2237941.cif |
|---|---|
| Structure factors | 2237941.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole |
|---|---|
| Formula | C17 H11 Br N2 |
| Calculated formula | C17 H11 Br N2 |
| SMILES | Brc1c2ccccc2c(c2c1cccc2)n1cncc1 |
| Title of publication | 1-(10-Bromoanthracen-9-yl)-1<i>H</i>-imidazole |
| Authors of publication | Lee, Hon Man; Lee, Hong-Jyun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 5 |
| Pages of publication | o672 |
| a | 8.1832 ± 0.0002 Å |
| b | 8.8473 ± 0.0002 Å |
| c | 9.5814 ± 0.0002 Å |
| α | 75.355 ± 0.001° |
| β | 81.624 ± 0.001° |
| γ | 77.134 ± 0.001° |
| Cell volume | 651.35 ± 0.03 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0367 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.0996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2237941.cif 2237941.hkl |
| 181301 | 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. |
2237941.cif 2237941.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. |
2237941.cif 2237941.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. |
2237941.cif 2237941.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237941.cif 2237941.hkl |
| 86629 | 2013-07-11 | cif/ Adding structures of 2237941 via cif-deposit CGI script. |
2237941.cif |
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Users of the data should acknowledge the original authors of the
structural data.