Polar ordering of polar octahedra in [C2N2H10][VOF4(H2O)]

Abstract

[C₂N₂H₁₀][VOF₄(H₂O)] spontaneously crystallises in the polar space group P2₁; strongly distorted V-centred octahedral units form polar chains via head-to-tail H-bonding which, in turn, cooperate via the organic template to form a crystal exhibiting a strong SHG signal. It is suggested that the polar ordering arises from a preference for misalignment of the polar octahedra with the polar chain direction, leading to favourable, asymmetric template–chain H-bonding interactions.