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Information card for entry 2244245
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| Coordinates | 2244245.cif |
|---|---|
| Structure factors | 2244245.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(5-Acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide |
|---|---|
| Formula | C13 H13 N3 O3 S |
| Calculated formula | C13 H13 N3 O3 S |
| Title of publication | Synthesis and crystal structure of <i>N</i>-(5-acetyl-4-methyl-pyrimidin-2-yl)benzene-sulfonamide. |
| Authors of publication | Mohamed-Ezzat, Reham A; Kariuki, Benson M.; Azzam, Rasha A. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 4 |
| Pages of publication | 331 - 334 |
| a | 10.0699 ± 0.0006 Å |
| b | 14.7429 ± 0.0006 Å |
| c | 10.5212 ± 0.0007 Å |
| α | 90° |
| β | 113.9 ± 0.007° |
| γ | 90° |
| Cell volume | 1428.04 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0689 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283599 (current) | 2023-05-06 | cif/ Updating files of 2244245 Original log message: Adding full bibliography for 2244245.cif. |
2244245.cif 2244245.hkl |
| 281913 | 2023-03-16 | cif/ hkl/ Adding structures of 2244245 via cif-deposit CGI script. |
2244245.cif 2244245.hkl |
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Users of the data should acknowledge the original authors of the
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