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Information card for entry 2108029
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| Coordinates | 2108029.cif |
|---|---|
| Structure factors | 2108029.hkl |
| Original IUCr paper | HTML |
| Common name | metformin hydrochloride |
|---|---|
| Formula | C4 H12 Cl N5 |
| Calculated formula | C4 H12 Cl N5 |
| SMILES | [Cl-].CN(C)C(=NC(=[NH2+])N)N |
| Title of publication | Charge density analysis of metformin chloride, a biguanide anti-hyperglycemic agent |
| Authors of publication | Niranjana Devi, Rajendran; Jelsch, Christian; Israel, Samuel; Aubert, Emmanuel; Anzline, Chellam; Hosamani, Amar A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 1 |
| Pages of publication | 10 - 22 |
| a | 7.9104 ± 0.0009 Å |
| b | 13.8794 ± 0.0001 Å |
| c | 7.931 ± 0.0001 Å |
| α | 90° |
| β | 114.606 ± 0.006° |
| γ | 90° |
| Cell volume | 791.69 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0326 |
| Residual factor for significantly intense reflections | 0.0226 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0422 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.91 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191416 (current) | 2017-02-04 | cif/ Updating files of 2108029 Original log message: Adding full bibliography for 2108029.cif. |
2108029.cif 2108029.hkl |
| 190860 | 2017-01-24 | cif/ hkl/ Adding structures of 2108029 via cif-deposit CGI script. |
2108029.cif 2108029.hkl |
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Users of the data should acknowledge the original authors of the
structural data.