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Information card for entry 2023585
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| Coordinates | 2023585.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (Benzo[4,5]imidazo[2,1-<i>b</i>]thiazol-2-yl)(4-chlorophenyl)methanone |
|---|---|
| Formula | C16 H9 Cl N2 O S |
| Calculated formula | C16 H9 Cl N2 O S |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (benzo[4,5]imidazo[2,1-b]thiazol-2-yl)(4-chlorophenyl)methanone |
| Authors of publication | Vishal, R.; Balaraman, Vignesh; Yamajala, Rajesh B. R. D.; Natarajan, Sampath |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2026 |
| Journal volume | 82 |
| Journal issue | 11 |
| a | 18.1878 ± 0.0018 Å |
| b | 12.8058 ± 0.0013 Å |
| c | 12.1917 ± 0.0011 Å |
| α | 90° |
| β | 90.115 ± 0.004° |
| γ | 90° |
| Cell volume | 2839.6 ± 0.5 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 6 |
| 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 | 0.1451 |
| Residual factor for significantly intense reflections | 0.0587 |
| Weighted residual factors for significantly intense reflections | 0.098 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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