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Information card for entry 2242436
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| Coordinates | 2242436.cif |
|---|---|
| Structure factors | 2242436.hkl |
| Original IUCr paper | HTML |
| Common name | lamotrigine ethanolate |
|---|---|
| Formula | C11 H13 Cl2 N5 O |
| Calculated formula | C11 H13 Cl2 N5 O |
| Title of publication | Lamotrigine ethanol monosolvate |
| Authors of publication | Hall, Charlie L.; Potticary, Jason; Sparkes, Hazel A.; Pridmore, Natalie E.; Hall, Simon R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 5 |
| Pages of publication | 678 - 681 |
| a | 21.2458 ± 0.0015 Å |
| b | 10.232 ± 0.0008 Å |
| c | 14.8428 ± 0.0011 Å |
| α | 90° |
| β | 118.808 ± 0.004° |
| γ | 90° |
| Cell volume | 2827.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1041 |
| Residual factor for significantly intense reflections | 0.0979 |
| Weighted residual factors for significantly intense reflections | 0.2318 |
| Weighted residual factors for all reflections included in the refinement | 0.234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.411 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211179 (current) | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
2242436.cif 2242436.hkl |
| 207542 | 2018-04-30 | cif/ hkl/ Adding structures of 2242436 via cif-deposit CGI script. |
2242436.cif 2242436.hkl |
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Users of the data should acknowledge the original authors of the
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