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Information card for entry 2011727
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| Coordinates | 2011727.cif |
|---|---|
| Structure factors | 2011727.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(8-quinolyl)-2-pyridinecarboxamide |
|---|---|
| Formula | C15 H11 N3 O |
| Calculated formula | C15 H11 N3 O |
| SMILES | O=C(Nc1cccc2cccnc12)c1ncccc1 |
| Title of publication | <i>N</i>-(8-Quinolyl)pyridine-2-carboxamide |
| Authors of publication | Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 1 |
| Pages of publication | 109 - 110 |
| a | 7.677 ± 0.002 Å |
| b | 7.915 ± 0.003 Å |
| c | 20.408 ± 0.005 Å |
| α | 90° |
| β | 99.64 ± 0.02° |
| γ | 90° |
| Cell volume | 1222.6 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.08 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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