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Information card for entry 2021682
Preview
| Coordinates | 2021682.cif |
|---|---|
| Structure factors | 2021682.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]-<i>N</i>-(pyridin-2-ylmethylidene)ethanamine}cadmium(II) |
|---|---|
| Formula | C16 H18 Cd Cl2 N4 O |
| Calculated formula | C16 H18 Cd Cl2 N4 O |
| SMILES | [Cd]123(Cl)(Cl)[n]4c(C=[N]3CC[N]31C(OCC3)c1cccc[n]21)cccc4 |
| Title of publication | Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with Cu^II^ and Cd^II^ along with docking studies |
| Authors of publication | Mardani, Zahra; Hakimi, Mohammad; Moeini, Keyvan; Mohr, Fabian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 7 |
| a | 14.0924 ± 0.0003 Å |
| b | 7.7111 ± 0.0002 Å |
| c | 15.5819 ± 0.0004 Å |
| α | 90° |
| β | 90.317 ± 0.003° |
| γ | 90° |
| Cell volume | 1693.23 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 6 |
| 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 | 0.032 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0511 |
| Weighted residual factors for all reflections included in the refinement | 0.0542 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216136 (current) | 2019-06-20 | cif/ hkl/ Adding structures of 2021681, 2021682 via cif-deposit CGI script. |
2021682.cif 2021682.hkl |
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Users of the data should acknowledge the original authors of the
structural data.