Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations

Document Type: Research Paper


Department of Chemistry, Faculty of Sciences, University 20 August 1955-Skikda, El-Hadaiek Road, BP: 26, 21000 Skikda, Algeria.


In this study, the combination of Phenergan C17H2ON2S, in which two aromatic rings are present, are attached to the rings at carbon position 5 and 13 halogens, and the changes in the asymmetric parameter, the convex constants, and the chemical displacement of the lateral carbon atoms are calculated. It shows that with the change of halogen based on the electronegativity of the fluorine atom, the contiguous constants always have the lowest values and chemical displacement in most of the carbon atoms studied.