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Information card for entry 8105695
Preview
| Coordinates | 8105695.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H9 Cl F N3 |
|---|---|
| Calculated formula | C12 H9 Cl F N3 |
| SMILES | Clc1c(N/N=C/c2ccc(F)cc2)nccc1 |
| Title of publication | The crystal structure of (E)-3-chloro-2-(2-(4-fluorobenzylidene)hydrazinyl)pyridine, C12H9ClFN3 |
| Authors of publication | Zheng, Bin-Yu; Sun, Na-Bo; Chen, Xue-Song; Liu, Xing-Hai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 3 |
| Pages of publication | 355 - 356 |
| a | 10.12 ± 0.004 Å |
| b | 13.823 ± 0.006 Å |
| c | 16.48 ± 0.007 Å |
| α | 90° |
| β | 91.744 ± 0.008° |
| γ | 90° |
| Cell volume | 2304.3 ± 1.7 Å3 |
| Cell temperature | 113.15 K |
| Ambient diffraction temperature | 113.15 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 | 0.0512 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for significantly intense reflections | 0.0879 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277379 (current) | 2022-08-24 | cif/ Adding structures of 8105695 via cif-deposit CGI script. |
8105695.cif |
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Users of the data should acknowledge the original authors of the
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