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Information card for entry 1546657
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| Coordinates | 1546657.cif |
|---|---|
| Structure factors | 1546657.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate |
|---|---|
| Formula | C22 H18 N3 O3.5 |
| Calculated formula | C22 H18 N3 O3.5 |
| Title of publication | (Pyridin-2-yl)methyl 2-oxo-1-[(pyridin-2-yl)methyl]-1,2-dihydroquinoline-4-carboxylate hemihydrate |
| Authors of publication | Filali Baba, Yassir; Kandri Rodi, Youssef; Ouzidan, Younes; Mague, Joel T.; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 7 |
| Pages of publication | x171038 |
| a | 4.9634 ± 0.0001 Å |
| b | 14.0708 ± 0.0003 Å |
| c | 25.7168 ± 0.0006 Å |
| α | 90° |
| β | 90.602 ± 0.001° |
| γ | 90° |
| Cell volume | 1795.94 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.066 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199251 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546657 via cif-deposit CGI script. |
1546657.cif 1546657.hkl |
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Users of the data should acknowledge the original authors of the
structural data.