The structure of the 1H‐imidazol‐3‐ium lawsonate salt aided by ab initio gas‐phase calculations

For the new organic salt 1H‐imidazol‐3‐ium 1,4‐dioxo‐1,4‐dihydronaphthalen‐2‐olate, C₃H₅N₂⁺·C₁₀H₅O₃⁻, ab initio calculations of the gas‐phase structures of the lawsonate and imidazolium ions were performed to help in the interpretation of the structural features observed. Three different types of hydrogen bond are responsible for the three‐dimensional packing of the salt.