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Crystal structure of high-spin tetra-aqua-bis-(2-chloro-pyrazine-κN (4))iron(II) bis-(4-methyl-benzene-sulfonate).

ABSTRACT: The title salt, [Fe(II)(C4H3ClN2)2(H2O)4](C7H7O3S)2, contains a complex cation with point group symmetry 2/m. The high-spin Fe(II) cation is hexa-coordinated by four symmetry-related water and two N-bound 2-chloro-pyrazine mol-ecules in a trans arrangement, forming a distorted FeN2O4 octa-hedron. The three-dimensional supra-molecular structure is supported by inter-molecular O-H⋯O hydrogen bonds between the complex cations and tosyl-ate anions, and additional π-π inter-actions between benzene and pyrazine rings. The methyl H atoms of the tosyl-ate anion are equally disordered over two positions.

SUBMITTER: Golub BO

PROVIDER: S-EPMC4518969 | biostudies-literature | 2015 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of high-spin tetra-aqua-bis-(2-chloro-pyrazine-κN (4))iron(II) bis-(4-methyl-benzene-sulfonate).

Golub Bohdan O BO Shylin Sergii I SI Dechert Sebastian S Malysheva Maria L ML Gural'skiy Il'ya A IA

Acta crystallographica. Section E, Crystallographic communications 20150613 Pt 7

The title salt, [Fe(II)(C4H3ClN2)2(H2O)4](C7H7O3S)2, contains a complex cation with point group symmetry 2/m. The high-spin Fe(II) cation is hexa-coordinated by four symmetry-related water and two N-bound 2-chloro-pyrazine mol-ecules in a trans arrangement, forming a distorted FeN2O4 octa-hedron. The three-dimensional supra-molecular structure is supported by inter-molecular O-H⋯O hydrogen bonds between the complex cations and tosyl-ate anions, and additional π-π inter-actions between benzene an ...[more]

PMID: 26279865

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