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Information card for entry 2242911
Preview
| Coordinates | 2242911.cif |
|---|---|
| Structure factors | 2242911.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-3-[(4-Fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide |
|---|---|
| Formula | C16 H15 Br F N3 S |
| Calculated formula | C16 H15 Br F N3 S |
| Title of publication | Crystal structure and Hirshfeld surface analysis of (<i>E</i>)-3-[(4-fluorobenzylidene)amino]-5-phenylthiazolidin-2-iminium bromide |
| Authors of publication | Khalilov, Ali N.; Atioğlu, Zeliha; Akkurt, Mehmet; Duruskari, Gulnara Sh.; Toze, Flavien A. A.; Huseynova, Afet T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 5 |
| Pages of publication | 662 - 666 |
| a | 8.0599 ± 0.0003 Å |
| b | 8.6086 ± 0.0004 Å |
| c | 12.7608 ± 0.0005 Å |
| α | 96.548 ± 0.002° |
| β | 92.518 ± 0.002° |
| γ | 111.065 ± 0.002° |
| Cell volume | 817.39 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0396 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0769 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214746 (current) | 2019-04-24 | cif/ hkl/ Adding structures of 2242911 via cif-deposit CGI script. |
2242911.cif 2242911.hkl |
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Users of the data should acknowledge the original authors of the
structural data.