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Information card for entry 2008923
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| Coordinates | 2008923.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 3-chloro-1-(4,5-dinitroimidazolyl)propan-2-ol |
|---|---|
| Formula | C6 H7 Cl N4 O5 |
| Calculated formula | C6 H7 Cl N4 O5 |
| SMILES | n1(cnc(c1N(=O)=O)N(=O)=O)CC(CCl)O |
| Title of publication | Azole. 42. Über Nitropiperidinoimidazolderivate |
| Authors of publication | Gzella, Andrzej; Wrzeciono, Urszula; Pöppel, Wolfram |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1562 - 1565 |
| a | 10.3098 ± 0.0013 Å |
| b | 8.4972 ± 0.0008 Å |
| c | 11.4264 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1001 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.108 |
| Goodness-of-fit parameter for all reflections | 1.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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