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Information card for entry 1545831
Preview
| Coordinates | 1545831.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | ACETAZOLAMIDE;2 PYRIDONE |
|---|---|
| Formula | C14 H16 N6 O5 S2 |
| Calculated formula | C14 H16 N6 O5 S2 |
| SMILES | s1c(NC(=O)C)nnc1S(=O)(=O)N.O=c1[nH]cccc1.O=c1[nH]cccc1 |
| Title of publication | Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides |
| Authors of publication | Bolla, Geetha; Nangia, Ashwini |
| Journal of publication | IUCrJ |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 2 |
| Pages of publication | 152 - 160 |
| a | 6.8501 ± 0.0003 Å |
| b | 11.3563 ± 0.0006 Å |
| c | 12.3387 ± 0.0008 Å |
| α | 82.288 ± 0.005° |
| β | 81.856 ± 0.004° |
| γ | 75.804 ± 0.004° |
| Cell volume | 916.19 ± 0.09 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0668 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1674 |
| Weighted residual factors for all reflections included in the refinement | 0.1707 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 195746 (current) | 2017-04-25 | cif/ Adding structures of 1545830, 1545831, 1545832, 1545833, 1545834, 1545835, 1545836, 1545837, 1545838 via cif-deposit CGI script. |
1545831.cif |
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Users of the data should acknowledge the original authors of the
structural data.