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Crystal structure of di-aqua-bis-(4-cyano-pyridine-?N)bis-(thio-cyanato-?N)iron(II) 4-cyano-pyridine disolvate.

ABSTRACT: The asymmetric unit of the title compound, [Fe(NCS)₂(C₆H₄N₂)₂(H₂O)₂]·2C₆H₄N₂, comprises one Fe^II cation occupying an inversion centre as well as one thio-cyanate anion, one water mol-ecule and two 4-cyano-pyridine mol-ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano-pyridine ligands and two water mol-ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa-hedron. The discrete complexes are connected through centrosymmetric pairs of (pyridine)C-H?N(cyano) hydrogen bonds into chains that are further linked into a three-dimensional network through inter-molecular O-H?N hydrogen bonds involving the 4-cyano-pyridine solvent mol-ecules.

SUBMITTER: Jochim A

PROVIDER: S-EPMC5382599 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Crystal structure of di-aqua-bis-(4-cyano-pyridine-κN)bis-(thio-cyanato-κN)iron(II) 4-cyano-pyridine disolvate.

Jochim Aleksej A Jess Inke I Näther Christian C

Acta crystallographica. Section E, Crystallographic communications 20170303 Pt 4

The asymmetric unit of the title compound, [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2, comprises one FeII cation occupying an inversion centre as well as one thio-cyanate anion, one water mol-ecule and two 4-cyano-pyridine mol-ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano-pyridine ligands and two water m ...[more]

PMID: 28435698

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