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Information card for entry 2204577
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| Coordinates | 2204577.cif |
|---|---|
| Structure factors | 2204577.hkl |
| Original IUCr paper | HTML |
| Common name | Quinol–Pyridine |
|---|---|
| Chemical name | Quinol–Pyridine (1/1) |
| Formula | C11 H11 N O2 |
| Calculated formula | C11 H11 N O2 |
| SMILES | c1cccnc1.Oc1ccc(cc1)O |
| Title of publication | A 1:1 co-crystal of quinol and pyridine |
| Authors of publication | Iain D. H. Oswald; W. D. Sam Motherwell; Simon Parsons |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o1967 - o1969 |
| a | 5.7451 ± 0.0005 Å |
| b | 9.157 ± 0.0009 Å |
| c | 9.6247 ± 0.0009 Å |
| α | 89.002 ± 0.002° |
| β | 76.222 ± 0.002° |
| γ | 77.478 ± 0.002° |
| Cell volume | 479.76 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.113 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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