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Information card for entry 2011338
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| Coordinates | 2011338.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-Chloro-1-(5-morpholinyl-4-nitroimidazol-1-yl)propan-2-ol |
|---|---|
| Formula | C10 H15 Cl N4 O4 |
| Calculated formula | C10 H15 Cl N4 O4 |
| SMILES | n1(cnc(c1N1CCOCC1)N(=O)=O)CC(CCl)O |
| Title of publication | Azole. 44. Über Morpholinonitroimidazolderivate |
| Authors of publication | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | 1161 - 1163 |
| a | 6.5036 ± 0.0008 Å |
| b | 7.8493 ± 0.0009 Å |
| c | 12.9757 ± 0.0014 Å |
| α | 91.101 ± 0.009° |
| β | 101.026 ± 0.01° |
| γ | 101.94 ± 0.01° |
| Cell volume | 634.91 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.048 |
| Residual factor for significantly intense reflections | 0.041 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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