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Updated: Jan 11, 2026
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
Julius Hättasch1, Franziska Dorothea Klotz1, Annika Schmidt1
1Technische Universität Dortmund, Fakultät für Chemie und Chemische Biologie, Otto-Hahn-Strasse 6, 44227 Dortmund, Germany.
Abstract:
Mol-ecules of the title compound, [ZnBr2(C22H25NOSi)2], are situated across a twofold axis passing through the central Zn atom in the uncommon space group C2221. The organic ligands feature migration of Si-OH protons to the amine substituents, while the resulting zwitterions adopt strong charge-assisted intra-molecular N-H⋯O hydrogen bonds [N⋯O = 2.5895 (13) Å]. They act as monodentate ligands through highly nucleophilic silanolate O atoms, completing a distorted ZnBr2O2 tetra-hedral environment of the metal ions [Zn-O = 1.9509 (9) Å]. In the crystal, weak C-H⋯Br hydrogen bonds govern the assembly of a two-dimensional pattern parallel to the (110) plane, further consolidated by C-H⋯π bonding. These findings are in line with the results of Hirshfeld surface analysis. The latter reveals the prevalence of H⋯H inter-actions (67.9%), which are followed by H⋯C/C⋯H (21.5%) and Br⋯H/H⋯Br (10.5%) contacts. The fingerprint plots also indicate the presence of crystal voids that are consistent with a relatively loose packing.
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