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Updated: May 12, 2025

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Synthesis, crystal structure and Hirshfeld surface analysis of
Saadet N Guseynova1, Aida I Samigullina2, Cemile Baydere Demir3
1Kosygin State University of Russia, 117997 Moscow, Russian Federation.
Abstract:
The title mol-ecule, C13H17Cl2FO3, crystallizes in the ortho-rhom-bic space group P212121 with one mol-ecule in the asymmetric unit. The skeleton of the mol-ecule exhibits an anti conformation with a C-C-C-C(Ph) torsion angle of -174.97 (18)°. The species are weakly hy-dro-gen bonded to form a polymeric chain elongated in the direction of the b axis. This inter-action is realised by the hydroxyl group with an ether O atom of a symmetry-related species [O-H⋯O hy-dro-gen-bond distance of 2.975 (2) Å]. No π-stacking inter-action involving the fluoro-benzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O-H⋯O donor-acceptor inter-actions, indicates that the most important contributions to the surface contacts are H⋯H (47.0%), Cl⋯H (19.5%), C⋯H (12.1%) and F⋯H (10.7%).
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