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Information card for entry 2022823
Preview
| Coordinates | 2022823.cif |
|---|---|
| Structure factors | 2022823.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>-{2-[2-(Benzo[<i>b</i>]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide |
|---|---|
| Formula | C22 H16 F N O2 S2 |
| Calculated formula | C22 H16 F N O2 S2 |
| Title of publication | Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide |
| Authors of publication | Madhan, S.; NizamMohideen, M.; Pavunkumar, Vinayagam; MohanaKrishnan, Arasambattu K. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 8 |
| a | 7.9588 ± 0.0001 Å |
| b | 25.984 ± 0.0004 Å |
| c | 9.5178 ± 0.0002 Å |
| α | 90° |
| β | 96.853 ± 0.001° |
| γ | 90° |
| Cell volume | 1954.23 ± 0.06 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 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 | 0.0525 |
| Residual factor for significantly intense reflections | 0.0415 |
| Weighted residual factors for significantly intense reflections | 0.1032 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285320 (current) | 2023-07-22 | cif/ hkl/ Adding structures of 2022823, 2022824 via cif-deposit CGI script. |
2022823.cif 2022823.hkl |
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Users of the data should acknowledge the original authors of the
structural data.