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Information card for entry 2243846
Preview
| Coordinates | 2243846.cif |
|---|---|
| Structure factors | 2243846.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1-methyl-2-[4-(prop-2-yn-1-oxy)phenyl)-1<i>H</i>-benzimidazole-5-carboxylate |
|---|---|
| Formula | C20 H18 N2 O3 |
| Calculated formula | C20 H18 N2 O3 |
| Title of publication | The crystal structures of three disordered 2-substituted benzimidazole esters |
| Authors of publication | Harish Chinthal, Chayanna; Yathirajan, Hemmige S.; Manju, Nagaraja; Kalluraya, Balakrishna; Foro, Sabine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 5 |
| Pages of publication | 473 - 479 |
| a | 17.947 ± 0.002 Å |
| b | 4.5907 ± 0.0005 Å |
| c | 41.305 ± 0.004 Å |
| α | 90° |
| β | 91.016 ± 0.008° |
| γ | 90° |
| Cell volume | 3402.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1145 |
| Residual factor for significantly intense reflections | 0.0676 |
| Weighted residual factors for significantly intense reflections | 0.1674 |
| Weighted residual factors for all reflections included in the refinement | 0.1872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266199 (current) | 2021-06-06 | cif/ hkl/ Adding structures of 2243846, 2243847, 2243848 via cif-deposit CGI script. |
2243846.cif 2243846.hkl |
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