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Updated: Jun 11, 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
Todd M Reynolds1, Steven M Berry1, Deborah C Bebout1
1Department of Chemistry, William & Mary, Williamsburg, VA 23187-8795, USA.
Abstract:
The title compound, [Cd(C14H16N3S)Cl] or [CdLCl] (1), where LH = 2-[bis-(pyridin-2-ylmeth-yl)amino]-ethane-1-thiol, was prepared and structurally characterized. The Cd2+ complex crystallizes in P21/c with a distorted trigonal-bipyramidal metal coordination geometry. Supra-molecular inter-actions in 1 include parallel offset face-to-face inter-actions between inversion-related pyridyl rings and potential hydrogen bonds with chlorine or sulfur as the acceptor. Additional cooperative pyrid-yl-pyridyl inter-actions with roughly 45° tilt angles and centroid-centroid distances of less than 5.5 Å likely also contribute to the overall solid-state stability. Hirshfeld surface analysis indicates that H⋯H (51.2%), Cl⋯H/H⋯Cl (13.9%), C⋯H/H⋯C (12.3%) and S⋯H/H⋯S (11.8%) inter-actions are dominant in the solid state.
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