Synthesis, Crystal Structure, DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo [4,3-a]pyridine Moiety

被引：0

作者：

Shen Zhong-Hua ^{[1
]}

Shi Yan-Xia ^{[2
]}

Yang Ming-Yan ^{[1
]}

Sun Zhao-Hui ^{[1
]}

Weng Jian-Quan ^{[1
]}

Tan Cheng-Xia ^{[1
]}

Liu Xing-Hai ^{[1
]}

Li Bao-Ju ^{[2
]}

Zhao Wei-Guang ^{[3
]}

机构：

[1] Zhejiang Univ Technol, Coll Chem Engn, Hangzhou 310014, Zhejiang, Peoples R China

[2] Chinese Acad Agr Sci, Inst Vegetables & Flowers, Beijing 100014, Peoples R China

[3] Nankai Univ, State Key Lab Elementoorgan Chem, Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China

来源：

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY | 2016年 / 35卷 / 03期

基金：

中国国家自然科学基金;

关键词：

1,2,4-triazolo[4,3-a]pyridine; hydrazine; synthesis; crystal structure; theoretical calculation; antifungal activity; MICROWAVE ASSISTANT SYNTHESIS; ONE-POT SYNTHESIS; ANTIFUNGAL ACTIVITY; 1,2,4-TRIAZOLE DERIVATIVES; 1,3,4-OXADIAZOLE DERIVATIVES; HYDRAZONE DERIVATIVES; FUNGICIDAL ACTIVITY; HERBICIDAL ACTIVITY; DESIGN; BIOACTIVITIES;

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The novel Schiff base (E)-8-chloro-N'-(4-(dimethylamino)benzylidene)-{1,2,4]triazolo[4,3-a]pyridine-3-carbohydrazide was synthesized and characterized by H-1 NMR, MS, elemental analysis and X-ray diffiaction. The compound crystallizes in the monoclinic space group P2(1)/c with a = 7.091(2), b = 10.750(3), c = 21.380(6) angstrom, beta = 96.299(6)degrees, V = 1619.7(8) angstrom(3), Z = 4 and R = 0.0351. Theoretical calculation of the title compound was carried out with the B3LYP/6-31G basis set. The frontier orbital energy and atomic net charges were discussed. It is found that the experimental data show good agreement with the calculated values. And the compound exhibits good antifungal activity against Stemphylium lycopersici (Enjoji) Yamamoto.

引用

页码：457 / 464

页数：8

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