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Information card for entry 2243847
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| Coordinates | 2243847.cif |
|---|---|
| Structure factors | 2243847.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 1-propyl-2-(pyren-1-yl)-1<i>H</i>-benzimidazole-5-carboxylate |
|---|---|
| Formula | C29 H24 N2 O2 |
| Calculated formula | C29 H24 N2 O2 |
| 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 | 18.467 ± 0.002 Å |
| b | 8.686 ± 0.0008 Å |
| c | 14.242 ± 0.001 Å |
| α | 90° |
| β | 95.359 ± 0.007° |
| γ | 90° |
| Cell volume | 2274.5 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1053 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1233 |
| Weighted residual factors for all reflections included in the refinement | 0.1474 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
2243847.cif 2243847.hkl |
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