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Information card for entry 7240547
Preview
| Coordinates | 7240547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(2-Bromophenyl)-1H-benzimidazole |
|---|---|
| Chemical name | 2-(2-Bromophenyl)-1H-benzimidazole |
| Formula | C13 H9 Br N2 |
| Calculated formula | C13 H9 Br N2 |
| Title of publication | Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles |
| Authors of publication | Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 7.007 ± 0.003 Å |
| b | 9.936 ± 0.003 Å |
| c | 32.745 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2279.8 ± 1.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0692 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1377 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252159 (current) | 2020-05-19 | cif/ Adding structures of 7240546, 7240547, 7240548, 7240549 via cif-deposit CGI script. |
7240547.cif |
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Users of the data should acknowledge the original authors of the
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