Spectroscopic, crystallographic, and docking studies of 3,4-dimethyl-N-((thiophen-2-yl)methylene)isoxazol-5-amine Schiff base

被引：0

作者：

Ch. Vijay Kumar

M. Pradeep Kumar

S. Tejaswi

机构：

[1] Osmania University,Department of Chemistry

来源：

Crystallography Reports | 2014年 / 59卷

关键词：

Schiff Base; Molecular Docking; Crystallography Report; Isoxazole; Unit Cell Dimension;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

A novel 3,4-dimethyl-N-((thiophen-2-yl)methylene)isoxazol-5-amine (DMTMIA) Schiff base has been synthesized by condensation of 3,4-dimethyl-5-amine isoxazole with thiophene-2-carboxaldehyde and characterized by using elemental analysis, 1H NMR, 13C NMR, Mass, IR and UV-Visible spectroscopic techniques. The structure of DMTMIA has also been determined crystallographically. It crystallizes in the orthorhombic crystal system with Pbca space group. The unit cell dimensions of the Schiff base are a = 11.326(4), b = 12.198(4), c = 14.954(5) Å. The Schiff base was designed and energy minimization was carried out with the help of HyperChem software and subsequently structure activity study was employed to investigate the ability to stabilize DNA-Topoisomerase I. Docking results revealed that the Schiff base involved in van der Waals interactions.

引用

页码：1029 / 1032

页数：3

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