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Information card for entry 7238214
Preview
| Coordinates | 7238214.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 | 8.2241 ± 0.0004 Å |
| b | 8.5725 ± 0.0004 Å |
| c | 15.5081 ± 0.0007 Å |
| α | 90° |
| β | 93.794 ± 0.004° |
| γ | 90° |
| Cell volume | 1090.94 ± 0.09 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.887 |
| 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. |
7238214.cif |
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Users of the data should acknowledge the original authors of the
structural data.