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Information card for entry 8105572
Preview
| Coordinates | 8105572.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H5 F N2 O |
|---|---|
| Calculated formula | C8 H5 F N2 O |
| SMILES | c1(ccc(cc1)c1nnco1)F |
| Title of publication | The crystal structure of 2-(4-fluorophenyl)-1,3,4-oxadiazole, C8H5FN2O |
| Authors of publication | Zhou, Zhixu; Long, Dan; Wu, Qing-Mei; Yu, De-Hou; Lu, Hong-Guang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 234 |
| Journal issue | 1 |
| Pages of publication | 153 - 154 |
| a | 7.892 ± 0.008 Å |
| b | 6.088 ± 0.006 Å |
| c | 15.701 ± 0.016 Å |
| α | 90° |
| β | 90.08 ± 0.03° |
| γ | 90° |
| Cell volume | 754.4 ± 1.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0569 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276427 (current) | 2022-06-30 | cif/ Adding structures of 8105572 via cif-deposit CGI script. |
8105572.cif |
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Users of the data should acknowledge the original authors of the
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