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.

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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
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article

Crystal structure and Hirshfeld surface analysis of dibromidobis({( S )-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κ O )zinc(II)

Annika Schmidt, Carsten Strohmann, Franziska Dorothea Klotz, Julius Hättasch
Acta Crystallographica Section E Crystallographic Communications
Crystal structures of chemical compounds
article

Crystal structure and Hirshfeld surface analysis of dibromidobis({( S )-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κ O )zinc(II)

Annika Schmidt, Carsten Strohmann, Franziska Dorothea Klotz, Julius Hättasch
article en

Abstract

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.

Acta Crystallographica Section E Crystallographic CommunicationsVol. 81(11)
TU Dortmund University (DE)
Openalex Percentile: Top 74%
Crystal structures of chemical compounds
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