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Information card for entry 1572816
Preview
| Coordinates | 1572816.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Methyl 2-[(<i>Z</i>)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
|---|---|
| Formula | C11 H11 N3 O S2 |
| Calculated formula | C11 H11 N3 O S2 |
| SMILES | S=C(SC)N/N=C1\C(=O)Nc2c1cc(cc2)C |
| Title of publication | Methyl 2-[(Z)-5-methyl-2-oxoindolin-3-ylidene]hydrazinecarbodithioate |
| Authors of publication | Abdul Manan, Mohd Abdul Fatah; Cordes, David B.; McKay, Aidan P. |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 10 |
| a | 4.9897 ± 0.0004 Å |
| b | 21.8014 ± 0.0019 Å |
| c | 11.3394 ± 0.0009 Å |
| α | 90° |
| β | 92.995 ± 0.008° |
| γ | 90° |
| Cell volume | 1231.84 ± 0.18 Å3 |
| Cell temperature | 125 K |
| Ambient diffraction temperature | 125 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 | 0.1403 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.1493 |
| Weighted residual factors for all reflections included in the refinement | 0.1853 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295378 (current) | 2024-10-09 | cif/ Adding structures of 1572816 via cif-deposit CGI script. |
1572816.cif |
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Users of the data should acknowledge the original authors of the
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