Syn and anti conformers of diammonium aquabis(malonato)oxidovanadate(IV) in an anhydrate crystal

Abstract

In the anhydrate crystal of di­ammonium aqua­bis­(malonato)oxidovanadate(IV), (NH4)2[VO(C3H2O4)2(H2O)], two conformers (syn or anti conformation on the equatorial plane) of complex cations are detected. The DFT calculations for the isomers indicate a slight influence of the conformation on their thermodynamic stability. The anionic complexes inter­act with adjacent anions and counter-cations through hydrogen bonds, and the hydrogen bonds lead to a structure with alternate stacking of layers consisting of either anti or syn isomers.