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Information card for entry 7224185
Preview
| Coordinates | 7224185.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | isoniazid-adipic acid cocrystal II |
|---|---|
| Formula | C18 H24 N6 O6 |
| Calculated formula | C18 H24 N6 O6 |
| SMILES | C(=O)(CCCCC(=O)O)O.c1(ccncc1)C(=O)NN.c1(ccncc1)C(=O)NN |
| Title of publication | Isoniazid cocrystallisation with dicarboxylic acids: vapochemical, mechanochemical and thermal methods |
| Authors of publication | Sarceviča, I.; Kons, A.; Orola, L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 1625 |
| a | 16.2 ± 0.01 Å |
| b | 7.378 ± 0.007 Å |
| c | 8.793 ± 0.006 Å |
| α | 90° |
| β | 105.079 ± 0.03° |
| γ | 90° |
| Cell volume | 1014.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 |
| Goodness-of-fit parameter for all reflections | 7.9 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 177768 (current) | 2016-03-05 | cif/ Updating files of 7224185 Original log message: Adding full bibliography for 7224185.cif. |
7224185.cif |
| 176308 | 2016-02-10 | cif/ Adding structures of 7224185 via cif-deposit CGI script. |
7224185.cif |
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