Crystal structure and Hirshfeld surface analysis of dibromidobis({( <i>S</i> )-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κ <i>O</i> )zinc(II)
Mol-ecules of the title compound, [ZnBr<sub>2</sub>(C<sub>22</sub>H<sub>25</sub>NOSi)<sub>2</sub>], are situated across a twofold axis passing through the central Zn atom in the uncommon space group C222<sub>1</sub>. 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 ZnBr<sub>2</sub>O<sub>2</sub> 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.
Authors
- Annika Schmidt (ORCID: https://orcid.org/0000-0002-7189-0800)
- Carsten Strohmann (ORCID: https://orcid.org/0000-0002-4787-2135)
- Franziska Dorothea Klotz
- Julius Hättasch
Institutions
- TU Dortmund University (DE)
Publication Details
- Journal
- Acta Crystallographica Section E Crystallographic Communications
- Published
- 2025-10-24
- DOI
- https://doi.org/10.1107/s2056989025008989
- Primary Topic
- Crystal structures of chemical compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00