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Information card for entry 2204315
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| Coordinates | 2204315.cif |
|---|---|
| Structure factors | 2204315.hkl |
| Original IUCr paper | HTML |
| Common name | ZD4054 Form 1 |
|---|---|
| Chemical name | N-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2- yl)phenyl]pyridine-3-sulfonamide |
| Formula | C19 H16 N6 O4 S |
| Calculated formula | C19 H16 N6 O4 S |
| SMILES | S(=O)(=O)(Nc1ncc(nc1OC)C)c1cccnc1c1ccc(cc1)c1ocnn1 |
| Title of publication | <i>N</i>-(3-Methoxy-5-methylpyrazin-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-sulfonamide (ZD4054 Form 1) |
| Authors of publication | Stensland, Birgitta; Roberts, Ron J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 10 |
| Pages of publication | o1817 - o1819 |
| a | 8.31 ± 0.001 Å |
| b | 15.132 ± 0.001 Å |
| c | 15.414 ± 0.001 Å |
| α | 90° |
| β | 90.79 ± 0.01° |
| γ | 90° |
| Cell volume | 1938.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.973 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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Users of the data should acknowledge the original authors of the
structural data.