Tetraaquabis(3-fluoropyridine-4-carboxylato-κN)zinc(II) dihydrate

Jonetha Fleming,Hans-Conrad Zur Loye,Jennifer Kelley,Mark D Smith,Leroy Peterson

doi:10.1107/s1600536810003284

Jonetha Fleming, Hans-Conrad Zur Loye + Show 3 more

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https://doi.org/10.1107/s1600536810003284

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Abstract

In the title compound, [Zn(C6H3FNO2)2(H2O)4]·2H2O, the ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules. The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O—H⋯O and weak O—H⋯F hydrogen bonds between 3-fpy4-cbx and water molecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180° rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1).

Highlights

H atoms treated by a mixture of independent and constrained refinement max = 0.28 e Å3
ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules
The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O—H O and weak O—H F hydrogen bonds between 3-fpy4-cbx and water molecules

Summary

Bruker SMART APEX CCD diffractometer

Smithb and Hans-Conrad zur Loyeb a Chemistry Department, Francis Marion University, Florence, South Carolina 29502, USA, and bDepartment of Chemistry and Biochemistry, University of South Carolina, Columbia, South Carolina 29208, USA. R factor = 0.023; wR factor = 0.065; data-to-parameter ratio = 11.7. H atoms treated by a mixture of independent and constrained refinement max = 0.28 e Å3. ZnII atom is octahedrally coordinated in a ZnO4N2 environment by two 3-fluoropyridine-4-carboxylate (3-fpy4-cbx) ligands and four water molecules. The [Zn(3-fpy4-cbx)2(H2O)4] molecules form a three-dimensional network through strong O—H O and weak O—H F hydrogen bonds between 3-fpy4-cbx and water molecules. The crystal used for data collection was a twin, with the twin law corresponding to a 180 rotation about the real-space [001] axis. The major twin fraction refined to 0.795 (1).

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