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

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ABSTRACT

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 thio­cyanate anion, one water mol­ecule and two 4-cyano­pyridine mol­ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano­pyridine ligands and two water mol­ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa­hedron. 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 inter­molecular O—H⋯N hydrogen bonds involving the 4-cyano­pyridine solvent mol­ecules.

No MeSH data available.


The discrete complex and the solvent mol­ecule of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. [Symmetry code: (i) 1 − x, 1 − y, 2 − z.]
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fig1: The discrete complex and the solvent mol­ecule of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. [Symmetry code: (i) 1 − x, 1 − y, 2 − z.]

Mentions: The asymmetric unit of [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2 contains one FeII cation that is located on an inversion centre, one thio­cyanate anion, one water mol­ecule and two 4-cyano­pyridine mol­ecules (Fig. 1 ▸). Discrete centrosymmetric [Fe(NCS)2(C6H4N2)2(H2O)2] complexes are formed, in which the FeII cations are octa­hedrally coordinated by two N-bonded thio­cyanate anions, two (pyridine)N-bonded 4-cyano­pyridine ligands and two water mol­ecules, each of them in a trans-position (Fig. 1 ▸). The disparate bond lengths are similar to those in related thio­cyanate compounds. The distortion of the octa­hedron is also reflected by the deviation of the bond angles from ideal values. The structure contains additional 4-cyano­pyridine solvate mol­ecules that are located in the cavities of the structure.


Crystal structure of di ­ aqua ­ bis ­ (4-cyano ­ pyridine- κ N )bis ­ (thio ­ cyanato- κ N )iron(II) 4-cyano ­ pyridine disolvate
The discrete complex and the solvent mol­ecule of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. [Symmetry code: (i) 1 − x, 1 − y, 2 − z.]
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Related In: Results  -  Collection

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Show All Figures
getmorefigures.php?uid=PMC5382599&req=5

fig1: The discrete complex and the solvent mol­ecule of the title compound with labeling and displacement ellipsoids drawn at the 50% probability level. [Symmetry code: (i) 1 − x, 1 − y, 2 − z.]
Mentions: The asymmetric unit of [Fe(NCS)2(C6H4N2)2(H2O)2]·2C6H4N2 contains one FeII cation that is located on an inversion centre, one thio­cyanate anion, one water mol­ecule and two 4-cyano­pyridine mol­ecules (Fig. 1 ▸). Discrete centrosymmetric [Fe(NCS)2(C6H4N2)2(H2O)2] complexes are formed, in which the FeII cations are octa­hedrally coordinated by two N-bonded thio­cyanate anions, two (pyridine)N-bonded 4-cyano­pyridine ligands and two water mol­ecules, each of them in a trans-position (Fig. 1 ▸). The disparate bond lengths are similar to those in related thio­cyanate compounds. The distortion of the octa­hedron is also reflected by the deviation of the bond angles from ideal values. The structure contains additional 4-cyano­pyridine solvate mol­ecules that are located in the cavities of the structure.

View Article: PubMed Central - HTML - PubMed

ABSTRACT

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 thio­cyanate anion, one water mol­ecule and two 4-cyano­pyridine mol­ecules in general positions. The iron cations are coordinated by two N-bonded thiocyanate anions, two (pyridine)N-bonded 4-cyano­pyridine ligands and two water mol­ecules into discrete complexes. The resulting coordination polyhedron can be described as a slightly distorted octa­hedron. 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 inter­molecular O—H⋯N hydrogen bonds involving the 4-cyano­pyridine solvent mol­ecules.

No MeSH data available.