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Information card for entry 1570479
Preview
| Coordinates | 1570479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-jasmone thiosemicarbazone |
|---|---|
| Chemical name | 2-{3-Methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide |
| Formula | C12 H19 N3 S |
| Calculated formula | C12 H19 N3 S |
| Title of publication | A second crystalline modification of 2-{3-methyl-2-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide |
| Authors of publication | Oliveira, Adriano Bof de; Bresolin, Leandro; Gervini, Vanessa Carratu; Beck, Johannes; Daniels, Jörg |
| Journal of publication | IUCrData |
| Year of publication | 2023 |
| Journal volume | 8 |
| Journal issue | 11 |
| Pages of publication | x231018 |
| a | 15.0159 ± 0.0007 Å |
| b | 8.0595 ± 0.0003 Å |
| c | 10.8243 ± 0.0005 Å |
| α | 90° |
| β | 94.372 ± 0.003° |
| γ | 90° |
| Cell volume | 1306.15 ± 0.1 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 K |
| Number of distinct elements | 4 |
| 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 | 0.0798 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.1427 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.086 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300370 (current) | 2025-07-05 | Updating bibliography information from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis) |
1570479.cif |
| 287925 | 2023-12-01 | cif/ Adding structures of 1570479 via cif-deposit CGI script. |
1570479.cif |
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Users of the data should acknowledge the original authors of the
structural data.