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Information card for entry 2103936
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| Coordinates | 2103936.cif |
|---|---|
| Structure factors | 2103936.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1,2-Dimethyl-4-nitro-5-morpholine-imidazole hydrate |
|---|---|
| Formula | C9 H16 N4 O4 |
| Calculated formula | C9 H16 N4 O4 |
| Title of publication | 1,2-Dimethyl-4-nitro-5-morpholinoimidazole and its hydrate: a case of a centrosymmetric‒noncentrosymmetric ambiguity |
| Authors of publication | Kubicki, Maciej; Borowiak, Teresa; Dutkiewicz, Grzegorz; Sobiak, Stanisław; Weidlich, Iwona |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 4 |
| Pages of publication | 487 - 491 |
| a | 10.1087 ± 0.0007 Å |
| b | 10.2497 ± 0.0008 Å |
| c | 10.9623 ± 0.0008 Å |
| α | 95.888 ± 0.006° |
| β | 92.119 ± 0.006° |
| γ | 90.188 ± 0.006° |
| Cell volume | 1129.02 ± 0.14 Å3 |
| Cell temperature | 110 ± 1 K |
| Ambient diffraction temperature | 110 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0332 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Weighted residual factors for all reflections included in the refinement | 0.0795 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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