Add time:07/11/2019         Source:sciencedirect.com

A thorough examination of weak interactions present in the crystal structure of the title compound was investigated. Intramolecular CH⋯N and F⋯S interactions make the molecule as fused 6,5,5,5,6,6-membered ring system. Two of the closely related structures show 1D-isostructurality with the title compound. The crystal structure is stabilized by different types of weak intermolecular CH⋯N, CH⋯F, CH···π and S···π and π···π interactions. The first two strongest dimers are stabilized by stacking interactions. The nature of these interactions and their role was established through quantum theory of atoms-in-molecules approach. The Hirshfeld surface analysis clearly reveals that the para-substituted fluorine substantially change the contribution of intermolecular H⋯H and H⋯C contacts. The molecular docking analysis suggests that the title compound shows anti-inflammatory activity and selective against cyclooxygenase-1 (COX-1) enzyme and the 2-fluorophenyl and triazole moieties of the title compound are involved in the π···π interactions with active site aromatic residues.

We also recommend Trading Suppliers and Manufacturers of 3-(3-Fluorophenyl)-4-fluorobenzoic acid (cas 1214363-82-2). Pls Click Website Link as below: cas 1214363-82-2 suppliers