Abstract
In the title compound, {(C10H11N3)[Zn3(C8H4O4)4]·2H2O}n, divalent Zn atoms are linked into trinuclear units featuring tetrahedral, octahedral and distorted tetrahedral, octahedral and square-pyramidal coordination geometries. These trinuclear units are connected by isopthalate dianions into [Zn3(isophthalate)4]n 2n− anionic layers, which aggregate into the three-dimensional structure via hydrogen-bonding pathways mediated by doubly protonated 4,4′-iminodipyridinium cations and water molecules of crystallization. One solvent water molecule was found to be disordered over two positions, each with a 50% site-occupancy factor.
Highlights
In the title compound, {(C10H11N3)[Zn3(C8H4O4)4]2H2O}n, divalent Zn atoms are linked into trinuclear units featuring tetrahedral, octahedral and distorted tetrahedral, octahedral and square-pyramidal coordination geometries
These trinuclear units are connected by isopthalate dianions into
[Zn3(isophthalate)4]n2n anionic layers, which aggregate into the three-dimensional structure via hydrogen-bonding pathways mediated by doubly protonated 4,40 -iminodipyridinium cations and water molecules of crystallization
Summary
Key indicators: single-crystal X-ray study; T = 173 K; mean (C–C) = 0.003 Å; Hatom completeness 94%; disorder in solvent or counterion; R factor = 0.034; wR factor = 0.081; data-to-parameter ratio = 15.4. In the title compound, {(C10H11N3)[Zn3(C8H4O4)4]2H2O}n, divalent Zn atoms are linked into trinuclear units featuring tetrahedral, octahedral and distorted tetrahedral, octahedral and square-pyramidal coordination geometries. These trinuclear units are connected by isopthalate dianions into [Zn3(isophthalate)4]n2n anionic layers, which aggregate into the three-dimensional structure via hydrogen-bonding pathways mediated by doubly protonated 4,40 -iminodipyridinium cations and water molecules of crystallization. One solvent water molecule was found to be disordered over two positions, each with a 50% site-occupancy factor
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