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Information card for entry 2005184
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| Coordinates | 2005184.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-chlorobenzimidazole |
|---|---|
| Formula | C7 H5 Cl N2 |
| Calculated formula | C7 H5 Cl N2 |
| SMILES | Clc1nc2c(cccc2)[nH]1 |
| Title of publication | 2-Chlorobenzimidazole |
| Authors of publication | Panneerselvam, K.; Soriano-García, M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1799 - 1801 |
| a | 9.937 ± 0.004 Å |
| b | 9.192 ± 0.001 Å |
| c | 14.417 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1316.9 ± 0.6 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for all reflections | 0.1736 |
| Weighted residual factors for significantly intense reflections | 0.1515 |
| Goodness-of-fit parameter for all reflections | 1.231 |
| Goodness-of-fit parameter for significantly intense reflections | 1.259 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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