The crystal structure and DFT studies on (E)-1-benzyl-N-(4-chlorobenzylidene)piperidin-4-amine

(E)-1-Benzyl-N-(4-chlorobenzylidene)piperidin-4-amine was prepared by greener, solvent-free microwave irradiation of 4-amino-N-benzyl piperidine with 4-chloro benzaldehyde utilizing a successful ZnFe2O4 catalyst. The greener technique offered better yield. The crystal (E)-1-benzyl-N-(4-chlorobenzy lidene)piperidin-4-amine [C19H21N2Cl] has been developed by slow solvent evaporation method at room temperature. The unit cell measurements are recorded by single crystal X-ray diffraction. The XRD study demonstrated the crystallinity of the sample. Single crystal XRD predict the structure of title compound and it's has a place with the orthorhombic system with P2(1) space group. Theoretical calculations were performed utilizing density functional theory (DFT) method. (C) 2020 Elsevier Ltd. All rights reserved.