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Information card for entry 7236246
Preview
| Coordinates | 7236246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H22 N4 O2 S2 |
|---|---|
| Calculated formula | C20 H22 N4 O2 S2 |
| Title of publication | Thienopyrimidine sulphonamide hybrids: design, synthesis, antiprotozoal activity and molecular docking studies |
| Authors of publication | Leeza Zaidi, Saadia; Agarwal, Subhash M.; Chavalitshewinkoon-Petmitr, Porntip; Suksangpleng, Thidarat; Ahmad, Kamal; Avecilla, Fernando; Azam, Amir |
| Journal of publication | RSC Advances |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 93 |
| Pages of publication | 90371 |
| a | 16.3801 ± 0.0011 Å |
| b | 10.1789 ± 0.0007 Å |
| c | 24.6397 ± 0.0019 Å |
| α | 90° |
| β | 107.967 ± 0.004° |
| γ | 90° |
| Cell volume | 3907.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236246.cif |
| 235308 | 2019-11-23 | cif/ Adding structures of 7236245, 7236246 via cif-deposit CGI script. |
7236246.cif |
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Users of the data should acknowledge the original authors of the
structural data.