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Information card for entry 3500169
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| Coordinates | 3500169.cif |
|---|
| Common name | fomepizole hemisulfate |
|---|---|
| Chemical name | 4-methylpyrazole hemisulfate |
| Formula | C8 H14 N4 O4 S |
| Calculated formula | C8 N4 O4 S |
| Title of publication | Fomepizole hemisulfate |
| Authors of publication | Armel Le Bail |
| Journal of publication | Personal communication to COD |
| Year of publication | 2026 |
| a | 11.0998 ± 0.0003 Å |
| b | 11.0998 ± 0.0003 Å |
| c | 10.693 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1317.44 ± 0.06 Å3 |
| Cell temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor R(I) for significantly intense reflections | 2.2193 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306648 (current) | 2026-06-25 | cif/ Adding structures of 3500169 via cif-deposit CGI script. |
3500169.cif |
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