Poly[(μ2-nitrato-κ2 O:O′)(μ2-pyrimidinium-2-carboxylato-κ2 O:O′)lithium(I)]

In the structure of the title compound, [Li(C5H4N2O2)(NO3)]n, the LiI ion is coordinated by two carboxylate O atoms donated by two ligands and two nitrate O atoms in a distorted tetrahedral geometry. LiI ions, bridged by carboxylate O atoms, form molecular ribbons composed of dimeric units. Two nitrate O atoms link the ribbons into molecular layers parallel to (001). Hydrogen bonds are active between protonated heterocyclic N atoms as donors and carboxylate O atoms as acceptors. The layers are held together by van der Waals interactions.

In the structure of the title compound, [Li(C 5

Structure Reports Online
The structures of two Co(II) complexes have been determined by Antolić et al., (2000) and Zhang et al., (2008b).
Experimental 50 mL of an aqueous solution containing 1 mmol of pyrimidine-2-carbonitrile (Aldrich) and 1 mmol of lithium nitrate hydrate were boiled with constant stirring under reflux for 6 h. After cooling to room temperature 1 N HNO 3 was added dropwise until the pH reached 6. Then the solution was stirred for 3 h. After evaporation to dryness the residue was repeatedly dissolved in water and evaporated at room temperature until colourless single crystals of the title compound were deposited.
The crystals were washed with cold methanol and dried in the air.
supplementary materials sup-2 Refinement H atoms attached to pyridimiine-ring C atoms were placed at calculated positions with C-H=0.93 Å and treated as riding on the parent atoms with U iso (H)=1.2U eq (C). The H atom attached to pyrimidine ring N2 atom has been found from the Fourier map and refined isotropically. Fig. 1. A fragment of the structure with the atom labeling scheme. Non-hydrogen atoms are shown as 50% elipsoids. Symmetry code: (I) -x + 3/2, y -1/2, z; (II) -x + 1, -y + 1, -z + 1; (III) -x + 3/2, y + 1/2, z. 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 Rfactors(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.