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Information card for entry 2022758
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| Coordinates | 2022758.cif |
|---|---|
| Structure factors | 2022758.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>-(4-Fluorophenyl)-<i>N</i>-isopropyl-2-(methylsulfonyl)acetamide |
|---|---|
| Chemical name | <i>N</i>-(4-Fluorophenyl)-2-(methylsulfonyl)-<i>N</i>-(propan-2-yl)acetamide |
| Formula | C12 H16 F N O3 S |
| Calculated formula | C12 H16 F N O3 S |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-fluoro-phen-yl)-<i>N</i>-isopropyl-2-(methyl-sulfon-yl)acetamide. |
| Authors of publication | Geetha, Doreswamy; Anil Kumar, Haleyur G.; Mohan Kumar, Thaluru M.; Srinivasa, Gejjalagere R.; Basavaraju, Yeriyur B.; Yathirajan, Hemmige S.; Parkin, Sean |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 5 |
| Pages of publication | 512 - 515 |
| a | 12.953 ± 0.0003 Å |
| b | 8.7657 ± 0.0002 Å |
| c | 11.7723 ± 0.0003 Å |
| α | 90° |
| β | 100.457 ± 0.001° |
| γ | 90° |
| Cell volume | 1314.45 ± 0.05 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 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 | 0.0373 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284384 (current) | 2023-06-06 | cif/ Updating files of 2022758 Original log message: Adding full bibliography for 2022758.cif. |
2022758.cif 2022758.hkl |
| 282921 | 2023-04-29 | cif/ hkl/ Adding structures of 2022758 via cif-deposit CGI script. |
2022758.cif 2022758.hkl |
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