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Information card for entry 2006543
Preview
| Coordinates | 2006543.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | [2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine] . [4-amino-N-(4,6-dimethyl-2-pyrimidinyl)benzene-sulfonamide] 1:2 complex monohydrate |
|---|---|
| Formula | C38 H48 N12 O8 S2 |
| Calculated formula | C38 H48 N12 O8 S2 |
| Title of publication | Trimethoprim–Sulfadimidine 1:2 Molecular Complex Monohydrate |
| Authors of publication | Nicola Sardone; Giampiero Bettinetti; Milena Sorrenti |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 9 |
| Pages of publication | 1295 - 1299 |
| a | 11.075 ± 0.001 Å |
| b | 9.268 ± 0.001 Å |
| c | 40.17 ± 0.005 Å |
| α | 90° |
| β | 94.05 ± 0.01° |
| γ | 90° |
| Cell volume | 4112.9 ± 0.8 Å3 |
| Cell temperature | 293 ± 3 K |
| Ambient diffraction temperature | 293 ± 3 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Goodness-of-fit parameter for significantly intense reflections | 1.616 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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