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Information card for entry 2003719
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| Coordinates | 2003719.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Carnidazole |
|---|---|
| Chemical name | O-Methyl[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]thiocarbamate |
| Formula | C8 H12 N4 O3 S |
| Calculated formula | C8 H12 N4 O3 S |
| Title of publication | Anhydrous Form of Carnidazole, C~8~H~12~N~4~O~3~S |
| Authors of publication | Bernardinelli, G.; Berclaz, T.; Geoffroy, M.; Rajalakshmi, N. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1390 - 1392 |
| a | 7.304 ± 0.001 Å |
| b | 15.437 ± 0.003 Å |
| c | 10.65 ± 0.004 Å |
| α | 90° |
| β | 109.47 ± 0.01° |
| γ | 90° |
| Cell volume | 1132.1 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.138 |
| Residual factor for significantly intense reflections | 0.067 |
| Weighted residual factors for all reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.032 |
| Goodness-of-fit parameter for all reflections | 3.06 |
| Goodness-of-fit parameter for significantly intense reflections | 2 |
| Diffraction radiation wavelength | 0.7093 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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