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Information card for entry 2023259
Preview
| Coordinates | 2023259.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Sulfamethoxazolium methyl sulfate monohydrate |
|---|---|
| Chemical name | 4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilinium methyl sulfate monohydrate |
| Formula | C11 H17 N3 O8 S2 |
| Calculated formula | C11 H17 N3 O8 S2 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of sulfamethoxazolium methylsulfate monohydrate |
| Authors of publication | Moroni, Aldana B.; Bottoso, Tiago; Lionello, Diego F.; Vega, Daniel R.; Kaufman, Teodoro S.; Calvo, Natalia L. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | 10 |
| a | 5.8838 ± 0.0008 Å |
| b | 11.6532 ± 0.0015 Å |
| c | 12.3276 ± 0.0016 Å |
| α | 84.722 ± 0.006° |
| β | 78.442 ± 0.005° |
| γ | 81.94 ± 0.005° |
| Cell volume | 818.14 ± 0.19 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| 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 |
|---|---|---|---|
| 294885 (current) | 2024-09-25 | cif/ Adding structures of 2023259 via cif-deposit CGI script. |
2023259.cif |
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Users of the data should acknowledge the original authors of the
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