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Information card for entry 8106912
Preview
| Coordinates | 8106912.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 N2 O S2 |
|---|---|
| Calculated formula | C19 H20 N2 O S2 |
| Title of publication | Crystal structure of (E)-2-(bis(methylthio)methylene)-1-phenyl-3-(2-phenylhydrazono)butan-1-one, C19H20N2OS2 |
| Authors of publication | Mabkhot, Yahia N.; Barakat, Assem; Al-Showiman, Salim S.; Soliman, Saied M.; Frey, Wolfgang; Ghabbour, Hazem A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 2 |
| Pages of publication | 475 - 476 |
| a | 10.6164 ± 0.0009 Å |
| b | 8.4131 ± 0.0006 Å |
| c | 20.2448 ± 0.0016 Å |
| α | 90° |
| β | 100.021 ± 0.004° |
| γ | 90° |
| Cell volume | 1780.6 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0351 |
| Residual factor for significantly intense reflections | 0.0288 |
| Weighted residual factors for significantly intense reflections | 0.0779 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281804 (current) | 2023-03-10 | cif/ Adding structures of 8106912 via cif-deposit CGI script. |
8106912.cif |
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Users of the data should acknowledge the original authors of the
structural data.