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Information card for entry 2022825
Preview
| Coordinates | 2022825.cif |
|---|---|
| Structure factors | 2022825.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Cyano-<i>N</i>-[(4-cyanophenyl)sulfonyl]-<i>N</i>-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide |
|---|---|
| Formula | C25 H17 N3 O5 S2 |
| Calculated formula | C25 H17 N3 O5 S2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-cyano-N-[(4-cyanophenyl)sulfonyl]-N-[2-(5-methylfuran-2-yl)phenyl]benzenesulfonamide |
| Authors of publication | Mammadova, Gunay Z.; Yakovleva, Elizaveta D.; Burkin, Gleb M.; Khrustalev, Victor N.; Akkurt, Mehmet; Çelikesir, Sevim Türktekin; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 7.4542 ± 0.0001 Å |
| b | 9.5111 ± 0.0002 Å |
| c | 16.4378 ± 0.0003 Å |
| α | 88.838 ± 0.004° |
| β | 81.644 ± 0.001° |
| γ | 81.414 ± 0.001° |
| Cell volume | 1140.11 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.0949 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285321 (current) | 2023-07-22 | cif/ hkl/ Adding structures of 2022825 via cif-deposit CGI script. |
2022825.cif 2022825.hkl |
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Users of the data should acknowledge the original authors of the
structural data.