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Information card for entry 1559972
Preview
| Coordinates | 1559972.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H8 F N3 S |
|---|---|
| Calculated formula | C7 H8 F N3 S |
| SMILES | Fc1ccc(NC(=S)NN)cc1 |
| Title of publication | Crystal Structure of (<i>Z</i>)-4-[4-Fluorophenyl]thiosemicarbazide<sup>4</sup> |
| Authors of publication | OSMAN, Uwaisulqarni M.; SILVARAJOO, Sharmili; BHAT, Irshad Ul Haq; RAZALI, Mohd Hasmizam; ROZAINI, Mohd Zul Helmi; RAVOOF, Thahira Begum S. A. |
| Journal of publication | X-ray Structure Analysis Online |
| Year of publication | 2020 |
| Journal volume | 36 |
| Journal issue | 0 |
| Pages of publication | 49 - 50 |
| a | 12.1056 ± 0.0008 Å |
| b | 5.5177 ± 0.0004 Å |
| c | 12.5617 ± 0.0008 Å |
| α | 90° |
| β | 90.063 ± 0.002° |
| γ | 90° |
| Cell volume | 839.06 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0946 |
| Residual factor for significantly intense reflections | 0.0549 |
| Weighted residual factors for significantly intense reflections | 0.1196 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260830 (current) | 2021-01-07 | cif/ Adding structures of 1559972 via cif-deposit CGI script. |
1559972.cif |
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Users of the data should acknowledge the original authors of the
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