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Information card for entry 2020679
Preview
| Coordinates | 2020679.cif |
|---|---|
| Structure factors | 2020679.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Furosemide <i>N</i>,<i>N</i>-dimethylacetamide disolvate |
|---|---|
| Chemical name | 4-Chloro-2-[(furan-2-yl)methylamino]-5-sulfamoylbenzoic acid <i>N</i>,<i>N</i>-dimethylacetamide disolvate |
| Formula | C20 H29 Cl N4 O7 S |
| Calculated formula | C20 H29 Cl N4 O7 S |
| Title of publication | A new solvate of furosemide with dimethylacetamide |
| Authors of publication | Beloborodova, Alina A.; Minkov, Vasily S.; Boldyreva, Elena V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 997 - 1001 |
| a | 17.0284 ± 0.001 Å |
| b | 7.8695 ± 0.0003 Å |
| c | 22.0555 ± 0.0015 Å |
| α | 90° |
| β | 126.512 ± 0.004° |
| γ | 90° |
| Cell volume | 2375.5 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0605 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020679.cif 2020679.hkl |
| 189965 | 2017-01-06 | cif/ Updating files of 2020679 Original log message: Adding full bibliography for 2020679.cif. |
2020679.cif 2020679.hkl |
| 188662 | 2016-11-25 | cif/ hkl/ Adding structures of 2020679 via cif-deposit CGI script. |
2020679.cif 2020679.hkl |
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Users of the data should acknowledge the original authors of the
structural data.