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Information card for entry 8106073
Preview
| Coordinates | 8106073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 F N3 O S2 |
|---|---|
| Calculated formula | C10 H8 F N3 O S2 |
| SMILES | S=C(SC)N/N=C/1C(=O)Nc2ccc(F)cc12 |
| Title of publication | Crystal structure of methyl (Z)-2-(5-fluoro-2-oxoindolin-3-ylidene)hydrazine-1-carbodithioate, C10H8FN3OS2 |
| Authors of publication | Li, Xin-Hong; Qin, Zhao-Xian; Cao, Sheng-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 1 |
| Pages of publication | 131 - 132 |
| a | 6.2909 ± 0.0002 Å |
| b | 7.4103 ± 0.0002 Å |
| c | 24.7079 ± 0.0006 Å |
| α | 90° |
| β | 97.396 ± 0.002° |
| γ | 90° |
| Cell volume | 1142.24 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0427 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279247 (current) | 2022-11-14 | cif/ Adding structures of 8106073 via cif-deposit CGI script. |
8106073.cif |
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Users of the data should acknowledge the original authors of the
structural data.