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Information card for entry 2200593
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| Coordinates | 2200593.cif |
|---|---|
| Structure factors | 2200593.hkl |
| Original IUCr paper | HTML |
| Chemical name | (R)-N-(1-Phenylethyl)quinoline-2-carboxamide |
|---|---|
| Formula | C18 H16 N2 O |
| Calculated formula | C18 H16 N2 O |
| SMILES | O=C(N[C@@H](c1ccccc1)C)c1nc2c(cc1)cccc2 |
| Title of publication | (<i>R</i>)-<i>N</i>-(1-Phenylethyl)quinoline-2-carboxamide |
| Authors of publication | Yang, Qi-Yun; Zhou, Zhong-Yuan; Qi, Jian-Ying |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o971 - o972 |
| a | 5.5955 ± 0.0011 Å |
| b | 10.684 ± 0.002 Å |
| c | 12.224 ± 0.002 Å |
| α | 90° |
| β | 98.687 ± 0.004° |
| γ | 90° |
| Cell volume | 722.4 ± 0.2 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0547 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections included in the refinement | 0.0898 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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