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Information card for entry 2243234
Preview
| Coordinates | 2243234.cif |
|---|---|
| Structure factors | 2243234.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-(4-Chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]-6-phenylimidazo[2,1-<i>b</i>][1,3,4]thiadiazole |
|---|---|
| Formula | C26 H19 Cl N4 S |
| Calculated formula | C26 H19 Cl N4 S |
| Title of publication | Crystal structures of three 6-aryl-2-(4-chlorobenzyl)-5-[(1<i>H</i>-indol-3-yl)methyl]imidazo[2,1-<i>b</i>][1,3,4]thiadiazoles |
| Authors of publication | Shamanth, Sadashivamurthy; Mantelingu, Kempegowda; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Foro, Sabine; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 18 - 24 |
| a | 16.456 ± 0.007 Å |
| b | 10.42 ± 0.002 Å |
| c | 26.391 ± 0.007 Å |
| α | 90° |
| β | 90.031 ± 0.012° |
| γ | 90° |
| Cell volume | 4525 ± 2 Å3 |
| Cell temperature | 302 ± 2 K |
| Ambient diffraction temperature | 302 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0908 |
| Residual factor for significantly intense reflections | 0.0596 |
| Weighted residual factors for significantly intense reflections | 0.1506 |
| Weighted residual factors for all reflections included in the refinement | 0.1765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246418 (current) | 2020-01-01 | cif/ hkl/ Adding structures of 2243234, 2243235, 2243236 via cif-deposit CGI script. |
2243234.cif 2243234.hkl |
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Users of the data should acknowledge the original authors of the
structural data.