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Information card for entry 8104719
Preview
| Coordinates | 8104719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H7 Cl F3 N3 O S |
|---|---|
| Calculated formula | C11 H7 Cl F3 N3 O S |
| Title of publication | Crystal structure of (E)-N-(1-((2-chlorothiazol-5-yl)methyl)pyridin-2(1H)-ylidene)-2,2,2-trifluoroacetamide, C11H7ClF3N3OS |
| Authors of publication | Zhao, Benbo; Yuan, Changchun; Xun, Miao-Miao; Fu, Kai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 4 |
| Pages of publication | 809 - 810 |
| a | 21.9623 ± 0.0008 Å |
| b | 9.7431 ± 0.0004 Å |
| c | 16.1379 ± 0.0005 Å |
| α | 90° |
| β | 132.053 ± 0.001° |
| γ | 90° |
| Cell volume | 2564.09 ± 0.17 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273596 (current) | 2022-03-10 | cif/ Adding structures of 8104719 via cif-deposit CGI script. |
8104719.cif |
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Users of the data should acknowledge the original authors of the
structural data.