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

被引：5

作者：

Kumar, N. Dinesh ^{[1
]}

Suppuraj, P. ^{[1
]}

Mayavel, P. ^{[1
,2
]}

Muthuvel, I. ^{[1
,3
]}

Thirunarayanan, G. ^{[1
]}

机构：

[1] Annamalai Univ, Dept Chem, Annamalainagar 608002, India

[2] Govt Arts Coll, Dept Chem, Ariyalur 621713, India

[3] MR Govt Arts Coll, Dept Chem, Mannargudi 614001, India

来源：

MATERIALS TODAY-PROCEEDINGS | 2020年 / 29卷

关键词：

Microwave irradiation; ZnFe2O4; Greener method; Single crystal XRD; DFT; SOLVENT-FREE SYNTHESIS; ASSISTED ORGANIC-SYNTHESIS; SPECTRAL CORRELATIONS; SCHIFF-BASES; MICROWAVE; COMPLEXES; CATALYST; ACID;

D O I：

10.1016/j.matpr.2020.04.718

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

(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.

引用

页码：1059 / 1063

页数：5

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