Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate

Acta Crystallographica Section E: Crystallographic Communications

Boron, E.P.¹  Carter, K.K.¹  Knaust, J.M.² 

[1] Chemistry Department, 520 North Main St., Meadville, PA 16335, USA;Department of Chemistry Mathematics and Physics, Clarion University, 840 Wood Street, Clarion, PA 16214, USA

关键词: CRYSTAL STRUCTURE;    SODIUM COORDINATION COMPOUND;    PYRAZINE N,N'-DIOXIDE (PZDO);    C-H...O INTERACTIONS;    O-H...O INTERACTIONS;    C-H...[PI] INTERACTIONS;    O-H...[PI] INTERACTIONS;   

DOI  :  10.1107/S205698901502071X

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The search for novel lanthanide coordination networks using pyrazine N,N′-dioxide (pzdo, C4H4N2O2) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na2(C4H4N2O2)(H2O)6][B(C6H5)4]2·C4H4N2O2·2H2O. The crystal structure is comprised of discrete [{Na(H2O)2}2(μ-H2O)2(μ-pzdo)]2+ cations and tetra­phenyl­borate anions, as well as pzdo and H2O solvent mol­ecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related NaI atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo mol­ecules (point-group symmetry -1) into rectangular grid-like layers parallel to the bc plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π inter­actions link the anion and solvent water mol­ecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetra­phenyl­borate anion.

【 授权许可】

CC BY