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Information card for entry 8107636
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| Coordinates | 8107636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide |
|---|---|
| Formula | C9 H10 N2 O S2 |
| Calculated formula | C9 H10 N2 O S2 |
| SMILES | S(C(=S)N/N=C/c1c(O)cccc1)C |
| Title of publication | Crystal structure of (E)-2-[(ortho-hydroxy)benzylidene]-2-(thiomethyl)- thionohydrazide, C9H10N2OS2 |
| Authors of publication | Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 1 |
| Pages of publication | 13 - 14 |
| a | 4.0727 ± 0.0002 Å |
| b | 22.256 ± 0.001 Å |
| c | 11.4854 ± 0.0006 Å |
| α | 90° |
| β | 98.364 ± 0.003° |
| γ | 90° |
| Cell volume | 1029.99 ± 0.09 Å3 |
| Ambient diffraction temperature | 200 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 significantly intense reflections | 0.0295 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287141 (current) | 2023-10-27 | cif/ Adding structures of 8107636 via cif-deposit CGI script. |
8107636.cif |
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