Synthesis, structure and computational study of diacetatobis(2-amino-6-fluoro-1,3-benzothiazole-κ N 3 )zinc(II)
Annotatsiya
In the title zinc(II) complex, [Zn(C 2 H 3 O 2 ) 2 (C 7 H 5 FN 2 S) 2 ], the Zn II atom adopts a tetrahedral coordination geometry (τ 4 = 0.96), defined by two nitrogen atoms from two neutral 2-amino-6-fluoro-1,3-benzothiazole ligands and two oxygen atoms from two monodentately coordinated acetate anions. The crystal packing is governed by classical N—H...O hydrogen bonds, which generate one-dimensional chains extending along the [011] direction. These chains are further reinforced by bifurcated N—H...(O,F) hydrogen bonds together with C—H...π, O...π, and offset π–π interactions, resulting in a robust three-dimensional supramolecular framework. Hirshfeld surface analysis reveals that H...H (31.5%), C...H/H...C (16.3%), O...H/H...O (13.0%), F...H/H...F (12.9%), and S...H/H...S (10.2%) contacts make the largest contributions to the crystal packing, while a void analysis confirms the efficient packing of the molecules within the crystal.
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