Crystal structure and Hirshfeld surface analysis of dibromidobis({( S )-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κ O )zinc(II)
Year: 2025
Type: article
Abstract: Molecules of the title compound, [ZnBr 2 (C 22 H 25 NOSi) 2 ], are situated across a twofold axis passing through the central Zn atom in the uncommon space group C222 1 . The organic ligands feature migration of Si—OH protons to the amine substituents, while the resulting zwitterions adopt strong charge-assisted intramolecular 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 ZnBr 2 O 2 tetrahedral 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 interactions (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.
Institution: TU Dortmund University
Language: English
Subfield: Inorganic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
OpenAlex ID: W4415499757
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