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Information card for entry 7244993
Preview
| Coordinates | 7244993.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34.56 H44.24 N8 O10.56 S2 |
|---|---|
| Calculated formula | C34.56 H44.24 N8 O10.56 S2 |
| Title of publication | Crystalline salts of a diuretic drug torasemide with improved solubility and dissolution properties |
| Authors of publication | Garg, Monika; Singh, Mayank K.; Koli, Saylee Manohar; Sreedhar, Bojja; Ramakrishna, Sistla; Nanubolu, Jagadeesh Babu |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| a | 20.8221 ± 0.0017 Å |
| b | 12.0329 ± 0.001 Å |
| c | 17.7085 ± 0.0015 Å |
| α | 90° |
| β | 113.465 ± 0.001° |
| γ | 90° |
| Cell volume | 4070 ± 0.6 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1399 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275671 (current) | 2022-05-28 | cif/ Adding structures of 7244991, 7244992, 7244993 via cif-deposit CGI script. |
7244993.cif |
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Users of the data should acknowledge the original authors of the
structural data.