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Information card for entry 8106566
Preview
| Coordinates | 8106566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H9 N3 S |
|---|---|
| Calculated formula | C13 H9 N3 S |
| Title of publication | Crystal structure of 2-(4-methyl-3-phenylthiazol-2(3H)-ylidene)malononitrile, C13H9N3S |
| Authors of publication | Mabkhot, Yahia N.; Ghabbour, Hazem A.; Al-aizari, Faiz A. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 451 - 452 |
| a | 8.5468 ± 0.0004 Å |
| b | 7.0166 ± 0.0004 Å |
| c | 10.3407 ± 0.0005 Å |
| α | 90° |
| β | 106.225 ± 0.002° |
| γ | 90° |
| Cell volume | 595.43 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.1197 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1607 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280555 (current) | 2023-01-24 | cif/ Adding structures of 8106566 via cif-deposit CGI script. |
8106566.cif |
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Users of the data should acknowledge the original authors of the
structural data.