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http://hdl.handle.net/20.500.12323/8167| Title: | Crystal structure and Hirshfeld surface analysis of (3aRS,4RS,10SR,10aSR)-2-(3,5-dimethylphenyl)-4- hydroxy-10-methyl-1-oxo-2,3,3a,4,10,10ahexahydro- 1H-[1]benzofuro[2,3-f]isoindole-10- carboxylic acid dimethylformamide monosolvate |
| Authors: | Yakovleva, Elizaveta D. Salakhova, Victoria I. Khrustalev, Victor N. Nazarova, Roya Z. Hasanov, Khudayar I. Javadzade, Tahir A. Akkurt, Mehmet Manahelohe, Gizachew Mulugeta |
| Keywords: | crystal structure hydrogen bonds envelope conformation Hirshfeld surface analysis |
| Issue Date: | Sep-2025 |
| Publisher: | International Union of Crystallography |
| Series/Report no.: | Vol. 81;Acta Crystallographica Section E, Crystallographic Communications, № 9 |
| Abstract: | The molecular conformation of the title compound, C24H23NO5·C3H7NO, is consolidated by intramolecular C—H⋯O O—H⋯O hydrogen bonds, forming an S(6) ring motif. In the crystal, the molecules are connected by C—H⋯O hydrogen bonds, forming layers parallel to the (101) plane. Furthermore, the molecules form layers parallel to the (102) plane by C—H⋯π interactions. Important intermolecular interactions highlighted by Hirshfeld surface analysis are H⋯H (54.7%), O⋯H/H⋯O (23.0%), and C⋯H/H⋯C (19.9%) contacts. |
| URI: | http://hdl.handle.net/20.500.12323/8167 |
| ISSN: | 2056-9890 |
| Appears in Collections: | Publications |
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