Bis[5-chloro-2-(phenyldiazenyl-κN 2)pyridine-κN]bis(thiocyanato-κN)iron(II)

In the title complex, [Fe(NCS)2(C11H8ClN3)2], the FeII atom is coordinated by two N atoms from the thiocyanate ligands and four N atoms from two chelating 5-chloro-2-(phenyldiazenyl)pyridine ligands, generating a fairly regular FeN6 octahedral coordination geometry. The thiocyanate ions are in a cis disposition and the pyridine N atoms are in a trans orientation. In the crystal, a short intermolecular Cl⋯S contact [3.366 (3) Å] is observed.

In the title complex, [Fe(NCS) 2 (C 11 H 8 ClN 3 ) 2 ], the Fe II atom is coordinated by two N atoms from the thiocyanate ligands and four N atoms from two chelating 5-chloro-2-(phenyldiazenyl)pyridine ligands, generating a fairly regular FeN 6 octahedral coordination geometry. The thiocyanate ions are in a cis disposition and the pyridine N atoms are in a trans orientation. In the crystal, a short intermolecular ClÁ Á ÁS contact [3.366 (3) Å ] is observed.

Refinement
All hydrogen atoms were constrained, C-H = 0.93 Å with U iso (H) = 1.2U eq (C) for C-sp 2 atoms of pyridine and phenyl rings.

Figure 1
Molecular structure of the title compound with displacement ellipsoids plotted at the 50% probability level.  The short contact interactions of [Fe(Clazpy) 2 (NCS) 2 ] .

Bis[5-chloro-2-(phenyldiazenyl-κN 2 )pyridine-κN]bis(thiocyanato-κN)iron(II)
Crystal data Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. Refinement. Refinement of F 2 against all reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > 2σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on al data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq