LAUSR

Abstract The title compound (C15H17ClO2), was crystallized in monoclinic system with P21/c space group. The Cg1 ring in the compound was puckered and displayed a half-chair conformation. In the crystalline solid of title compound the molecules are held together through cationic and anionic synthons of the type C-H...O. The qualitative evaluation of these interactions were performed by Hirshfeld and its related fingerprint plots. The propensity of the crystal packing was determined by enrichment ratios. Three dimensional architecture of the crystal packing was stabilized by interaction energies hence, it was carried out by using the accurate energy density model of B3LYP/6-311G(d,p). The electron density ρ(r) studies was also carried out to describe the nature of chemical bonding between the critical bond points. Laplacian of the electron densities ∇2ρ(r) were calculated to identify the points where the charges are appearing to be concentrated in the title compound.