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Information card for entry 1570750
Preview
| Coordinates | 1570750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cis-Jasmone 4-methylthiosemicarbazone |
|---|---|
| Chemical name | <i>N</i>-Methyl-2-{3-methyl-2-[(2<i>Z</i>)-pent-2-en-1-yl]cyclopent-2-en-1-ylidene}hydrazinecarbothioamide |
| Formula | C13 H21 N3 S |
| Calculated formula | C13 H21 N3 S |
| Title of publication | N-Methyl-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; Beck, Johannes; Daniels, Jörg |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 1 |
| a | 7.9583 ± 0.0002 Å |
| b | 11.2703 ± 0.0002 Å |
| c | 16.008 ± 0.0005 Å |
| α | 83.0428 ± 0.0018° |
| β | 86.9392 ± 0.0013° |
| γ | 76.5236 ± 0.0018° |
| Cell volume | 1385.51 ± 0.06 Å3 |
| Cell temperature | 223 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1129 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1144 |
| Weighted residual factors for all reflections included in the refinement | 0.1399 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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 |
|---|---|---|---|
| 289013 (current) | 2024-01-10 | cif/ Adding structures of 1570750 via cif-deposit CGI script. |
1570750.cif |
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