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Information card for entry 2020785
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| Coordinates | 2020785.cif |
|---|---|
| Structure factors | 2020785.hkl |
| Original paper (by DOI) | HTML |
| Common name | Lamotriginium crotonate |
|---|---|
| Chemical name | 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazin-2-ium but-2-enoate |
| Formula | C13 H13 Cl2 N5 O2 |
| Calculated formula | C13 H13 Cl2 N5 O2 |
| Title of publication | Lamotriginium crotonate and lamotriginium salicylate ethanol monosolvate: the role of solvent molecules in the packing organization |
| Authors of publication | Freire, Eleonora; Echeverría, Gustavo A.; Baggio, Ricardo |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 7 |
| Pages of publication | 563 - 568 |
| a | 19.513 ± 0.003 Å |
| b | 19.513 ± 0.003 Å |
| c | 17.613 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6706 ± 2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1072 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1477 |
| Weighted residual factors for all reflections included in the refinement | 0.1848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.966 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199077 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020785, 2020786 via cif-deposit CGI script. |
2020785.cif 2020785.hkl |
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Users of the data should acknowledge the original authors of the
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