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Information card for entry 2239045
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| Coordinates | 2239045.cif |
|---|---|
| Structure factors | 2239045.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(1,3-Benzodioxol-5-yl)-1<i>H</i>-benzimidazole |
|---|---|
| Formula | C14 H10 N2 O2 |
| Calculated formula | C14 H10 N2 O2 |
| SMILES | [nH]1c(nc2ccccc12)c1ccc2OCOc2c1 |
| Title of publication | 2-(1,3-Benzodioxol-5-yl)-1<i>H</i>-benzimidazole |
| Authors of publication | Ghichi, Nadir; Benaouida, Mohamed Amine; Benosmane, Ali; Benboudiaf, Ali; Merazig, Hocine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o157 |
| a | 8.7454 ± 0.0007 Å |
| b | 15.2824 ± 0.0011 Å |
| c | 16.9487 ± 0.0013 Å |
| α | 90° |
| β | 91.974 ± 0.005° |
| γ | 90° |
| Cell volume | 2263.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for significantly intense reflections | 0.083 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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