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Information card for entry 7061642
Preview
| Coordinates | 7061642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Metformin saccharinate |
|---|---|
| Formula | C11 H16 N6 O3 S |
| Calculated formula | C11 H16 N6 O3 S |
| SMILES | S1(=O)(=O)N=C([O-])c2c1cccc2.NC(=NC(N)=[N+](C)C)N |
| Title of publication | Solid-state landscape and biopharmaceutical implications of novel metformin-based salts |
| Authors of publication | Diniz, Luan F.; Carvalho, Paulo S.; Gonçalves, José E.; Diniz, Renata; Fernandes, Christian |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| Journal volume | 46 |
| Journal issue | 28 |
| Pages of publication | 13725 - 13737 |
| a | 7.7925 ± 0.0004 Å |
| b | 15.5421 ± 0.0006 Å |
| c | 11.8517 ± 0.0006 Å |
| α | 90° |
| β | 92.794 ± 0.005° |
| γ | 90° |
| Cell volume | 1433.67 ± 0.12 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Weighted residual factors for all reflections included in the refinement | 0.1117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277116 (current) | 2022-08-06 | cif/ Updating files of 7061640, 7061641, 7061642 Original log message: Adding full bibliography for 7061640--7061642.cif. |
7061642.cif |
| 276493 | 2022-07-02 | cif/ Adding structures of 7061640, 7061641, 7061642 via cif-deposit CGI script. |
7061642.cif |
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Users of the data should acknowledge the original authors of the
structural data.