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Information card for entry 2242831
Preview
| Coordinates | 2242831.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | 2-Acetylthiophene -1-phthalazinylhydrazone |
|---|---|
| Chemical name | 1-(1,2-Dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine |
| Formula | C14 H12 N4 S |
| Calculated formula | C14 H12 N4 S |
| SMILES | s1c(/C(=N\N=c2[nH]ncc3ccccc23)C)ccc1 |
| Title of publication | Synthesis, molecular and crystal structure of 1-(1,2-dihydrophthalazin-1-ylidene)-2-[1-(thiophen-2-yl)ethylidene]hydrazine |
| Authors of publication | Majoumo-Mbe, Felicite; Ngwang Nfor, Emmanuel; Kenfack Tsobnang, Patrice; Nguepmeni Eloundou, Valoise Brenda; Ngwain Yong, Joseph; Iris Efeti, Ikome |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 2 |
| Pages of publication | 251 - 254 |
| a | 8.921 ± 0.0002 Å |
| b | 11.6792 ± 0.0002 Å |
| c | 24.702 ± 0.0004 Å |
| α | 90° |
| β | 90.051 ± 0.002° |
| γ | 90° |
| Cell volume | 2573.7 ± 0.08 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0776 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.0937 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| 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. |
2242831.cif |
| 213288 | 2019-01-24 | cif/ Adding structures of 2242831 via cif-deposit CGI script. |
2242831.cif |
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Users of the data should acknowledge the original authors of the
structural data.