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Information card for entry 7249881
Preview
| Coordinates | 7249881.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C3.33 H2.8 Cl0.13 N0.27 O0.13 |
|---|---|
| Calculated formula | C3.33333 H2.8 Cl0.133333 N0.266667 O0.133333 |
| Title of publication | Ligand-free palladium-catalyzed synthesis of 3-(2,2-dialkyl-2<i>H</i>-chromen-4-yl)-2-phenylimidazo[1,2-<i>a</i>]pyridine derivatives: molecular docking investigation of their potential as DNA gyrase inhibitors and evaluation of their antibacterial activities. |
| Authors of publication | Mishra, Rudra Narayan; Ahemad, Mohammed Ansar; Panda, Jasmine; Nayak, Sabita; Mohapatra, Seetaram; Sahoo, Chita Ranjan |
| Journal of publication | RSC advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 4 |
| Pages of publication | 2930 - 2946 |
| a | 9.4927 ± 0.0007 Å |
| b | 10.3632 ± 0.0007 Å |
| c | 11.6644 ± 0.0006 Å |
| α | 83.912 ± 0.005° |
| β | 69.508 ± 0.005° |
| γ | 81.211 ± 0.006° |
| Cell volume | 1060.54 ± 0.12 Å3 |
| Cell temperature | 206 ± 30 K |
| Ambient diffraction temperature | 206 ± 30 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0515 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1275 |
| Weighted residual factors for all reflections included in the refinement | 0.1313 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297560 (current) | 2025-02-01 | cif/ Adding structures of 7249881 via cif-deposit CGI script. |
7249881.cif |
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Users of the data should acknowledge the original authors of the
structural data.