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Information card for entry 4505342
Preview
| Coordinates | 4505342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Metformin HCl form I |
|---|---|
| Chemical name | N,N-Dimethylimidodicarbonimidic diamide hydrochloride |
| Formula | C4 H12 Cl N5 |
| Calculated formula | C4 H12 Cl N5 |
| SMILES | [Cl-].C(=NC(=[NH2+])N(C)C)(N)N |
| Title of publication | A Metastable Polymorph of Metformin Hydrochloride: Isolation and Characterization Using Capillary Crystallization and Thermal Microscopy Techniques |
| Authors of publication | Childs, Scott L.; Chyall, Leonard J.; Dunlap, Jeanette T.; Coates, David A.; Stahly, Barbara C.; Stahly, G. Patrick |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2004 |
| Journal volume | 4 |
| Journal issue | 3 |
| Pages of publication | 441 |
| a | 7.9231 ± 0.0012 Å |
| b | 13.894 ± 0.002 Å |
| c | 7.9231 ± 0.0012 Å |
| α | 90° |
| β | 114.48° |
| γ | 90° |
| Cell volume | 793.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0445 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0763 |
| Weighted residual factors for all reflections included in the refinement | 0.0781 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179588 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/53. |
4505342.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4505342.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505342.cif |
| 51396 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4505342, 4505343 via cif-deposit CGI script. |
4505342.cif |
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Users of the data should acknowledge the original authors of the
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