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Information card for entry 2200112
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| Coordinates | 2200112.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholinium chloride monohydrate |
|---|---|
| Formula | C15 H21 Cl2 N3 O4 |
| Calculated formula | C15 H21 Cl2 N3 O4 |
| SMILES | [NH+]1(CCOCC1)CC1OC(=O)N(C1)\N=C\c1ccc(Cl)cc1.[Cl-].O |
| Title of publication | 4-[3-(4-Chlorobenzylideneamino)-2-oxooxazolidin-5-ylmethyl]morpholin-4-ium chloride monohydrate |
| Authors of publication | Bartczak, Tadeusz J.; Kruszynski, Rafal; Chilmonczyk, Zdzislaw; Cybulski, Jacek |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 4 |
| Pages of publication | o341 - o343 |
| a | 7.122 ± 0.002 Å |
| b | 8.809 ± 0.002 Å |
| c | 15.178 ± 0.003 Å |
| α | 95.98 ± 0.02° |
| β | 99.34 ± 0.02° |
| γ | 107.43 ± 0.02° |
| Cell volume | 884.6 ± 0.4 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 | 0.049 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.1202 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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