Tetraaquabis[4-(pyrazin-2-ylsulfanylmethyl)benzoato]manganese(II) dihydrate

Fu-An Li

doi:10.1107/s160053681004506x

Abstract

The title compound, [Mn(C12H9N2O2S)2(H2O)4]·2H2O, has been synthesized with a flexible asymmetrical bridging ligand, 4-(pyrazin-2-ylsulfanylmethyl)benzoic acid (Hpztmb). The MnII ion exhibits a centrosymmetric octahedral geometry involving two carboxylate O atoms of two different pztmb ligands and four O atoms of four coordinated water molecules. The packing shows a three-dimensional supramolecular network via O—H⋯O and O—H⋯N hydrogen bonds and π–π stacking interactions [centroid–centroid distances = 3.884 (8) and 4.034 (8) Å] between the benzene ring of one pztmb anion and the pyrazine ring of an adjacent anion.

Highlights

MnII ion exhibits a centrosymmetric octahedral geometry involving two carboxylate O atoms of two different pztmb ligands and four O atoms of four coordinated water molecules
Supplementary data and figures for this paper are available from the IUCr electronic archives
they are defined by crystal symmetry

Summary

Data collection

College of Chemistry and Chemical Engineering, Pingdingshan University, Pingdingshan 467000, Henan, People’s Republic of China. Key indicators: single-crystal X-ray study; T = 296 K; mean (C–C) = 0.005 Å; disorder in main residue; R factor = 0.064; wR factor = 0.229; data-to-parameter ratio = 18.2. The title compound, [Mn(C12H9N2O2S)2(H2O)4]2H2O, has been synthesized with a flexible asymmetrical bridging ligand, 4-(pyrazin-2-ylsulfanylmethyl)benzoic acid (Hpztmb). The. MnII ion exhibits a centrosymmetric octahedral geometry involving two carboxylate O atoms of two different pztmb ligands and four O atoms of four coordinated water molecules. The packing shows a three-dimensional supramolecular network via O—H O and O—H N hydrogen bonds and. 3.884 (8) and 4.034 (8) Å] between the benzene ring of one pztmb anion and the pyrazine ring of an adjacent anion. Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2010); software used to prepare material for publication: SHELXTL (Sheldrick, 2008)

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