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Table 2 Geometric parameters of the intermolecular interactions of compound 1

From: Crystal structure, DFT calculations and evaluation of 2-(2-(3,4-dimethoxyphenyl)ethyl)isoindoline-1,3-dione as AChE inhibitor

D–H···A Symmetry code D–H (Å) H···A (Å) D···A (Å) D–H···A (°)
C16–H16···O3i x, y − 1, z 0.95 2.58 3.241(3) 127
C6–H6···O19ii x, y + 1, z − 1 0.95 2.58 3.366(2) 140