Orotate complexes. Synthesis and crystal structure of lithium orotate(—I) monohydrate and magnesium bis[ orotate(—I)] octahydrate

Neutralization of orotic acid (OrH2) by lithium or magnesium hydroxide in aqueous medium yields the crystalline metal orotate hydrates Li(OrH). H2O (1) and Mg(OrH)2. (H2O)6 (2). By single-crystal X-ray diffraction studies it has been shown that 1 (space group P1) forms a layer structure, with lithium in a tetrahedral environment of oxygen atoms from three different orotate( - I) anions (one carboxylate and two uracil oxygen atoms) and the water molecule. 2 (space group P21/c) has been shown to feature a hexaquo complex of magnesium, the Mg(H2O)26 cations being associated with two hydrated OrH⊖ ions only through hydrogen bonds. The anions are also engaged in “base-pairing” hydrogen bonds between the planar uracil ring systems of different units. The results are relevant for applications of magnesium orotates in magnesium therapy.

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