This is the RHF/6-31G* optimized structure of s-cis or E benzoic acid. The structure shown has the H-atom and the phenyl group on the same side of the C-O single bond. Hence the structure is referred to as s-cis. In the E/Z-nomenclature, the structure shown is E because H and O are the high priority substituents on the atoms of the C-O bond and they are on opposite sides (entgegen). Note that the carboxy group is twisted out of the plane of the benzene! What might be the reason for this feature?
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