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Crystal structure and Hirshfeld surface analysis of (E)-3-(2-chloro-4-fluorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one
In the title chalcone–thiophene derivative, C(13)H(6)Cl(3)FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H⋯F hydrogen bonds, forming an R (2) (2)(8) ring motif. A Hirshfeld surface an...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6073002/ https://www.ncbi.nlm.nih.gov/pubmed/30116578 http://dx.doi.org/10.1107/S2056989018010216 |
Sumario: | In the title chalcone–thiophene derivative, C(13)H(6)Cl(3)FOS, the aromatic rings are inclined to one another by 12.9 (2)°, and the thiophene ring is affected by π-conjugation. In the crystal, molecules are linked by C—H⋯F hydrogen bonds, forming an R (2) (2)(8) ring motif. A Hirshfeld surface analysis was conducted to verify the contribution of the different intermolecular interactions. The shape-index surface clearly shows that the two sides of the molecules are involved in the same contacts with neighbouring molecules and the curvedness plots show flat surface patches characteristic of planar stacking. |
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