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Information card for entry 2242056
Preview
| Coordinates | 2242056.cif |
|---|---|
| Structure factors | 2242056.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate |
|---|---|
| Formula | C22 H25 N3 O7 S |
| Calculated formula | C22 H25 N3 O7 S |
| Title of publication | Crystal structure of dimethyl 2-((2<i>Z</i>,5<i>Z</i>)-5-(2-methoxy-2-oxoethylidene)-2-{(<i>E</i>)-[2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enylidene]hydrazinylidene}-4-oxothiazolidin-3-yl)fumarate |
| Authors of publication | N'ait Ousidi, Abdellah; Ait Itto, My Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Auhmani, Abdelwahed; Daran, Jean-Claude |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 2 |
| Pages of publication | 296 - 299 |
| a | 8.2468 ± 0.0003 Å |
| b | 9.8783 ± 0.0004 Å |
| c | 15.1039 ± 0.0006 Å |
| α | 96.144 ± 0.002° |
| β | 105.172 ± 0.002° |
| γ | 95.75 ± 0.002° |
| Cell volume | 1170.14 ± 0.08 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0657 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1233 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.223 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2242056.cif 2242056.hkl |
| 193930 | 2017-03-05 | cif/ hkl/ Adding structures of 2242056 via cif-deposit CGI script. |
2242056.cif 2242056.hkl |
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Users of the data should acknowledge the original authors of the
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