The crystal and molecular structure of sodium 4-(2,4,6-triisopropylbenzoyl)benzoate in terms of the photochemical behaviour of the anion

Abstract

Contrary to the known 4-(2,4,6-triisopropylbenzoyl)benzoate salts, di-μ-aqua-bis[tetraaquasodium(I)] bis[4-(2,4,6-triisopropylbenzoyl)benzoate] dihydrate, [Na2(H2O)10](C23H27O3)2·2H2O, (1), does not undergo a photochemical Norrish–Yang reaction in the crystalline state. In order to explain this photochemical inactivity, the intermolecular interactions were analyzed by means of the Hirshfeld surface and intramolecular geometrical parameters describing the possibility of a Norrish–Yang reaction were calculated. The reasons for the behaviour of the title salt are similar crystalline environments for both theo-isopropyl groups in the anion, resulting in similar geometrical parameters and orientations, and that these interaction distances differ significantly from those found in salts where the photochemical reaction occurs.