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Information card for entry 8106425
Preview
| Coordinates | 8106425.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 N2 O2 S |
|---|---|
| Calculated formula | C14 H14 N2 O2 S |
| SMILES | S1CCN(c2ccccc2)C\1=C(\C(=O)OCC)C#N |
| Title of publication | Crystal structure of (Z)-Ethyl 2-cyano-2-(3-phenylthiazolidin-2-ylidene) acetate, C14H14N2O2S |
| Authors of publication | Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A.; Al-Showiman, Salim |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 1 |
| Pages of publication | 41 - 42 |
| a | 8.6471 ± 0.0004 Å |
| b | 9.5576 ± 0.0005 Å |
| c | 9.7098 ± 0.0005 Å |
| α | 91.054 ± 0.002° |
| β | 109.38 ± 0.002° |
| γ | 113.769 ± 0.002° |
| Cell volume | 681.95 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0839 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1554 |
| Weighted residual factors for all reflections included in the refinement | 0.1745 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280219 (current) | 2023-01-06 | cif/ Adding structures of 8106425 via cif-deposit CGI script. |
8106425.cif |
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Users of the data should acknowledge the original authors of the
structural data.