Crystal structure and mol­ecular docking study of (E)-2-{[(E)-2-hy­droxy-5-methyl­benzyl­idene]hydrazinyl­idene}-1,2-di­phenyl­ethan-1-one

Kansiz, Sevgi; Tatlidil, Digdem; Dege, Necmi; Aktas, Feyzi Alkim; Al-Asbahy, Samir Osman Mohammed; Alaman Agar, Aysen

The title compound, C(22)H(18)N(2)O(2), is a Schiff base that exists in the phenol–imine tautomeric form and adopts an E configuration with respect to the C=N bond. The mol­ecular structure is stabilized by an O—H⋯N hydrogen bond, forming an S(6) ring motif. In the crystal, pairs of C—H⋯O hydrogen bonds link the mol­ecules to form inversion dimers. Weak π–π stacking inter­actions along the a-axis direction provide additional stabilization of the crystal structure. The mol­ecule is non-planar, the aromatic ring of the benzaldehyde residue being nearly perpendicular to the phenyl and 4-methyl­phenol rings with dihedral angles of 88.78 (13) and 82.26 (14)°, respectively. A mol­ecular docking study between the title mol­ecule and the COVID-19 main protease (PDB ID: 6LU7) was performed, showing that it is a potential agent because of its affinity and ability to adhere to the active sites of the protein.