Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4502144
Preview
| Coordinates | 4502144.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | amlodipine besylate dihydrate |
|---|---|
| Formula | C26 H35 Cl N2 O10 S |
| Calculated formula | C26 H35 Cl N2 O10 S |
| SMILES | N1C(=C(C(C(=C1C)C(=O)OC)c1c(cccc1)Cl)C(=O)OCC)COCC[NH3+].S(=O)(=O)([O-])c1ccccc1.O.O |
| Title of publication | Solid Forms of Amlodipine Besylate: Physicochemical, Structural, and Thermodynamic Characterization |
| Authors of publication | Koradia, Vishal; Lopez de Diego, Heidi; Frydenvang, Karla; Ringkjøbing-Elema, Michiel; Müllertz, Anette; Bond, Andrew D.; Rantanen, Jukka |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2010 |
| Journal volume | 10 |
| Journal issue | 12 |
| Pages of publication | 5279 |
| a | 18.892 ± 0.002 Å |
| b | 9.507 ± 0.0006 Å |
| c | 16.357 ± 0.003 Å |
| α | 90° |
| β | 105.285 ± 0.012° |
| γ | 90° |
| Cell volume | 2833.9 ± 0.6 Å3 |
| Cell temperature | 122 ± 1 K |
| Ambient diffraction temperature | 122 ± 1 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0894 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179552 (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 4/50/21. |
4502144.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4502144.cif |
| 36262 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 4502144 via cif-deposit CGI script. |
4502144.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.