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Updated: Jun 12, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Crystal structure and Hirshfeld-surface analysis of 1-(4-fluoro-phen-yl)-3,3-bis-(methyl-sulfan-yl)prop-2-en-1-one
Thaluru M Mohan Kumar1, Besagarahally L Bhaskar1, Papegowda Bhavya2
1Department of Physical Sciences, Amrita School of Engineering, Amrita Vishwa Vidyapeetham, Bengaluru-560 035, India.
None:
The title compound, C11H11FOS2, is a fluorinated chalcone derivative with potential applications in medicinal chemistry and functional materials. The mol-ecular structure includes a planar 4-fluoro-phenyl ring linked by a carbonyl group and an ethenyl spacer to an approximately planar bis-(methyl-sulfan-yl) moiety (r.m.s. deviations from planarity are 0.0106 and 0.0315 Å, respectively). These planar groups are twisted relative to each other, subtending a dihedral angle of 32.23 (4)°. The crystal packing lacks classical hydrogen bonds or aromatic π-stacking, but mol-ecules are connected through weaker C-H⋯O and C-H⋯S contacts into layers parallel to the ab plane and tapes extending along the b-axis direction. The 4-fluoro-phenyl groups on adjacent tapes inter-digitate. Hirshfeld surface analysis shows that the majority (>90%) of inter-molecular contacts involve hydrogen atoms.
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