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Information card for entry 7231887
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| Coordinates | 7231887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Amodiaquine Dihydrochloride Dihydrate |
|---|---|
| Chemical name | 4-[(7-chloro-4-quinolyl)amino]- 2-[(diethylamino)methyl] phenol dihydrochloride dihydrate. |
| Formula | C20 H28 Cl3 N3 O3 |
| Calculated formula | C20 H28 Cl3 N3 O3 |
| Title of publication | Capturing a new hydrate polymorph of amodiaquine dihydrochloride dihydrate via heterogeneous crystallisation |
| Authors of publication | Putra, Okky Dwichandra; Pettersen, Anna; Nilsson Lill, Sten O.; Umeda, Daiki; Yonemochi, Etsuo; Nugraha, Yuda Prasetya; Uekusa, Hidehiro |
| Journal of publication | CrystEngComm |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 13 |
| Pages of publication | 2053 |
| a | 7.6961 ± 0.00014 Å |
| b | 10.9153 ± 0.0002 Å |
| c | 27.2368 ± 0.0005 Å |
| α | 90° |
| β | 96.1341 ± 0.0007° |
| γ | 90° |
| Cell volume | 2274.93 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 1.54186 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223635 (current) | 2019-11-07 | cif/ Updating files of 7231887 Original log message: Adding full bibliography for 7231887.cif. |
7231887.cif |
| 212202 | 2018-11-28 | cif/ Adding structures of 7231887 via cif-deposit CGI script. |
7231887.cif |
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Users of the data should acknowledge the original authors of the
structural data.