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Information card for entry 8106841
Preview
| Coordinates | 8106841.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N2 O4 S |
|---|---|
| Calculated formula | C19 H20 N2 O4 S |
| Title of publication | Crystal structure of diethyl 2-(((2-(pyridin-3-ylthio)phenyl)amino)methylene)malonate, C19H20N2O4S |
| Authors of publication | Meng-Xue, Wang; Zheng, Fang; Kai, Guo |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 249 - 250 |
| a | 18.983 ± 0.004 Å |
| b | 5.057 ± 0.001 Å |
| c | 20.304 ± 0.004 Å |
| α | 90° |
| β | 106.1 ± 0.03° |
| γ | 90° |
| Cell volume | 1872.7 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1526 |
| Residual factor for significantly intense reflections | 0.068 |
| Weighted residual factors for significantly intense reflections | 0.1179 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281661 (current) | 2023-03-06 | cif/ Adding structures of 8106841 via cif-deposit CGI script. |
8106841.cif |
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Users of the data should acknowledge the original authors of the
structural data.