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Information card for entry 7225384
Preview
| Coordinates | 7225384.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-aminoquinaldine monohydrate |
|---|---|
| Chemical name | 2-Methyl-4-quinolinamine |
| Formula | C10 H12 N2 O |
| Calculated formula | C10 H12 N2 O |
| SMILES | c1(cc(c2ccccc2n1)N)C.O |
| Title of publication | 4-Aminoquinaldine monohydrate polymorphism: prediction and impurity aided discovery of a difficult to access stable form |
| Authors of publication | Braun, Doris E.; Oberacher, Herbert; Arnhard, Kathrin; Orlova, Maria; Griesser, Ulrich J. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 22 |
| Pages of publication | 4053 |
| a | 4.7832 ± 0.0005 Å |
| b | 12.0775 ± 0.0004 Å |
| c | 16.3371 ± 0.0005 Å |
| α | 90° |
| β | 92.226 ± 0.003° |
| γ | 90° |
| Cell volume | 943.07 ± 0.11 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 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 R(I) for significantly intense reflections | 7.0966 |
| Goodness-of-fit parameter for all reflections | 3.71 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.54056 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183192 (current) | 2016-06-01 | cif/ Adding structures of 7225384 via cif-deposit CGI script. |
7225384.cif |
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