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Information card for entry 7062530
Preview
| Coordinates | 7062530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H22 N4 O2 S |
|---|---|
| Calculated formula | C27 H22 N4 O2 S |
| SMILES | S1/C(=C\c2c3ccccc3[nH]c2)C(=O)N/C1=N/N=C1c2ccccc2c2c1cccc2.OCC |
| Title of publication | Fluorenone–thiazolidine-4-one scaffolds as antidiabetic and antioxidant agents: design, synthesis, X-ray crystal structures, and binding and computational studies |
| Authors of publication | Doddagaddavalli, Manasa A.; Kalalbandi, Veerendra Kumar A.; Naik, T. R. Ravi; Joshi, Shrinivas D.; Seetharamappa, Jaldappagari |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 28 |
| Pages of publication | 13581 - 13599 |
| a | 9.5263 ± 0.0004 Å |
| b | 10.9713 ± 0.0006 Å |
| c | 11.9081 ± 0.0006 Å |
| α | 67.572 ± 0.002° |
| β | 76.947 ± 0.003° |
| γ | 83.014 ± 0.003° |
| Cell volume | 1119.85 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 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 | 0.0669 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1127 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285475 (current) | 2023-08-05 | cif/ Updating files of 7062530 Original log message: Adding full bibliography for 7062530.cif. |
7062530.cif |
| 284733 | 2023-07-01 | cif/ Adding structures of 7062530 via cif-deposit CGI script. |
7062530.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.