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Information card for entry 7238216
Preview
| Coordinates | 7238216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 N3 O2 S2 |
|---|---|
| Calculated formula | C9 H9 N3 O2 S2 |
| Title of publication | Predicting and understanding crystal morphology: the morphology of benzoic acid and the polymorphs of sulfathiazole |
| Authors of publication | McArdle, Patrick; Hu, Yun; Lyons, Aoife; Dark, Rex |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 10 |
| Pages of publication | 3119 |
| a | 10.8598 ± 0.0003 Å |
| b | 8.5347 ± 0.0002 Å |
| c | 11.4387 ± 0.0003 Å |
| α | 90° |
| β | 91.941 ± 0.002° |
| γ | 90° |
| Cell volume | 1059.59 ± 0.05 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 | 0.0462 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244090 (current) | 2019-11-28 | cif/ Adding structures of 7238213, 7238214, 7238215, 7238216, 7238217 via cif-deposit CGI script. |
7238216.cif |
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Users of the data should acknowledge the original authors of the
structural data.