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Information card for entry 2242883
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| Coordinates | 2242883.cif |
|---|---|
| Structure factors | 2242883.hkl |
| Original IUCr paper | HTML |
| Common name | Memantine‒carboxyborane |
|---|---|
| Chemical name | 3,5-Dimethyladamantanylamine‒boranecarboxylic acid |
| Formula | C13 H24 B N O2 |
| Calculated formula | C13 H24 B N O2 |
| SMILES | OC(=O)[BH2][NH2]C12C[C@]3(C[C@@](C2)(CC(C1)C3)C)C |
| Title of publication | Crystal structure of memantine‒carboxyborane |
| Authors of publication | Ayudhya, Theppawut I.; Rheingold, Arnold L.; Dingra, Nin N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 543 - 546 |
| a | 34.229 ± 0.004 Å |
| b | 11.1051 ± 0.0012 Å |
| c | 9.2922 ± 0.001 Å |
| α | 90° |
| β | 96.526 ± 0.005° |
| γ | 90° |
| Cell volume | 3509.2 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1535 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214463 (current) | 2019-04-03 | cif/ hkl/ Adding structures of 2242883 via cif-deposit CGI script. |
2242883.cif 2242883.hkl |
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Users of the data should acknowledge the original authors of the
structural data.