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Information card for entry 2020685
Preview
| Coordinates | 2020685.cif |
|---|---|
| Structure factors | 2020685.hkl |
| Original paper (by DOI) | HTML |
| Common name | N-Benzyl-4-iodobenzimidazole |
|---|---|
| Chemical name | 1-Benzyl-4-iodo-1<i>H</i>-benzimidazole |
| Formula | C10 H9 I N2 |
| Calculated formula | C10 H9 I N2 |
| SMILES | Ic1ncn(c1)Cc1ccccc1 |
| Title of publication | C—I···N and C—I···π halogen bonding in the structures of 1-benzyliodoimidazole derivatives |
| Authors of publication | Nwachukwu, Chideraa I.; Bowling, Nathan P.; Bosch, Eric |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 2 - 8 |
| a | 8.4574 ± 0.0005 Å |
| b | 6.1526 ± 0.0003 Å |
| c | 19.4261 ± 0.001 Å |
| α | 90° |
| β | 96.362 ± 0.001° |
| γ | 90° |
| Cell volume | 1004.61 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0172 |
| Residual factor for significantly intense reflections | 0.0161 |
| Weighted residual factors for significantly intense reflections | 0.0363 |
| Weighted residual factors for all reflections included in the refinement | 0.0367 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191419 (current) | 2017-02-04 | cif/ Updating files of 2020684, 2020685, 2020686 Original log message: Adding full bibliography for 2020684--2020686.cif. |
2020685.cif 2020685.hkl |
| 188983 | 2016-12-07 | cif/ hkl/ Adding structures of 2020684, 2020685, 2020686 via cif-deposit CGI script. |
2020685.cif 2020685.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.