catena-Poly[[(2-aminopyrimidine-κN 1)(thiocyanato-κS)mercury(II)]-μ-thiocyanato-κ2 S:N]

In the title coordination polymer, [Hg(NCS)2(C4H5N3)], the HgII atom is four-coordinated by one aromatic N atom from a 2-aminopyrimidine ligand, one S atom from a terminal thiocyanate ligand, and one S atom and one N atom from a bridging thiocyanate ligand. The crystal structure features polymeric chains running along the b axis which are stabilized by N—H⋯N hydrogen bonds.

In the title coordination polymer, [Hg(NCS) 2 (C 4 H 5 N 3 )], the Hg II atom is four-coordinated by one aromatic N atom from a 2-aminopyrimidine ligand, one S atom from a terminal thiocyanate ligand, and one S atom and one N atom from a bridging thiocyanate ligand. The crystal structure features polymeric chains running along the b axis which are stabilized by N-HÁ Á ÁN hydrogen bonds.
In the title coordination polymer, (Fig. 1), the Hg II atom is four-coordinated in a butterfly configuration by one N atom from one 2-aminopyrimidine, one S atom from one terminal SCN ligand, one S atom from one bridging SCN and one N atom from one bridging SCN ligand.

Experimental
A solution of 2-aminopyrimidine (0.19 g, 2.0 mmol) in methanol (20 ml) was added to a solution of Hg(SCN) 2 (0.43 g, 1.0 mmol) in methanol (20 ml) and the resulting colorless solution was stirred for 20 min at 313 K. This solution was left to evaporate slowly at room temperature. After one week, colourless prismatic crystals of the title compound were isolated (yield; 0.33 g, 72.8%).

Refinement
All H atoms were positioned geometrically, with C-H = 0.93 Å and N-H = 0.86 Å and constrained to ride on their parent atoms with U iso (H)=1.2U eq (C,N).

catena-Poly[[(2-aminopyrimidine-κN 1 )(thiocyanato-κS)mercury(II)]-µ-thiocyanato-κ 2 S:N]
Crystal data where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.008 Δρ max = 0.72 e Å −3 Δρ min = −1.23 e Å −3 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 > σ(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 ALL data will be even larger.