Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ2 O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate

The crystal structure of the title compound contains discrete [{Na(H 2 O) 2 } 2 (μ-H 2 O) 2 (μ-pzdo)] 2+ (pzdo is pyrazine N , N ′-dioxide) cations, tetra­phenyl­borate anions and uncoordinating water and pzdo mol­ecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π inter­actions. T...

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Veröffentlicht in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2015-11, Vol.71 (Pt 12), p.1467-1470
Hauptverfasser: Boron, Elaine P., Carter, Kelsey K., Knaust, Jacqueline M.
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Sprache:eng
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Zusammenfassung:The crystal structure of the title compound contains discrete [{Na(H 2 O) 2 } 2 (μ-H 2 O) 2 (μ-pzdo)] 2+ (pzdo is pyrazine N , N ′-dioxide) cations, tetra­phenyl­borate anions and uncoordinating water and pzdo mol­ecules, held together by various hydrogen-bonding and C—H⋯π and O—H⋯π inter­actions. The search for novel lanthanide coordination networks using pyrazine N,N′ -dioxide (pzdo, C 4 H 4 N 2 O 2 ) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na 2 (C 4 H 4 N 2 O 2 )(H 2 O) 6 ][B(C 6 H 5 ) 4 ] 2 ·C 4 H 4 N 2 O 2 ·2H 2 O. The crystal structure is comprised of discrete [{Na(H 2 O) 2 } 2 (μ-H 2 O) 2 (μ-pzdo)] 2+ cations and tetra­phenyl­borate anions, as well as pzdo and H 2 O solvent mol­ecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na I 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.
ISSN:2056-9890
DOI:10.1107/S205698901502071X