No abstract

The molecular vicinity characteristics in the crystal of two dibenzoylnaphthalene derivatives having intimately similar molecular formula with solely one substituent difference, 2-hydroxy group or 2-ethoxy one, were comparatively investigated in relation to the types of weak interactions with the aid of X-ray crystal structural study reinforced by Hirshfeld surface analyses and two-dimensional plotting of the normalised interatomic distance crossing the molecular surface. The general X-ray crystal structural analysis has selected the effective non-covalent bonding intra/intermolecular interactions as the governing interactions for the molecular packing on the basis of short interatomic distances. The minute spatial structure around respective interaction demonstrates the characteristics of the non-covalent bonding interatomic interactions. The general X-ray crystal structural analysis also reveals the relationship between the whole crystalline symmetricity and the fashion of the interactions. The Hirshfeld surface analysis displays the location of the short contacts on the molecular surface. The two-dimensional plotting reveals the contribution of the interacting atomic pairs covering the molecular surfaces as the geometrical distribution of the effective intermolecular non-covalent bonding interactions. The difference in the revealed packing features and whole proximity for two compounds are rationally interpreted according to the strength categorization of the non-covalent bonding interactions especially in relation with the proportional/disproportional distribution of the molecular contact index. The comparison illustrates the superior intermolecular interaction concentrates the short interatomic distances and strain at the specified region of the molecular aggregate resulting in arise of satisfactory flexibility of the extroverted sides to realise highly symmetrical interactions.