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

doi:10.14102/j.cnki.0254-5861.2011-0913

CORC > 中国农业科学院 > 蔬菜花卉研究所

	Synthesis, Crystal Structure, DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo [4,3-a] pyridine Moiety
	Shen Zhonghua 1; Shi Yanxia 2; Yang Mingyan 1; Sun Zhaohui 1; Weng Jianquan 1; Tan Chengxia 1; Liu Xinghai 1; Li Baoju 2; Zhao Weiguang 3
刊名	Chinese Journal of Structural Chemistry
	2016
卷号	35 期号:3 页码:457-464
关键词	1,2,4-triazolo[4,3-α]pyridine hydrazine synthesis crystal structure theoretical calculation antifungal activity
ISSN号	0254-5861
DOI	10.14102/j.cnki.0254-5861.2011-0913
英文摘要	The novel Schiff base (E)-8-chloro-N'-(4-(dimethylamino)benzylidene)-[1,2,4]tria-zolo[4,3-a]pyridine-3-carbohydrazide was synthesized and characterized by ~1H NMR, MS, elemental analysis and X-ray diffraction. The compound crystallizes in the monoclinic space group P2_1/c with a = 7.091(2), b = 10.750(3), c = 21.380(6) A, β= 96.299(6)o,V= 1619.7(8) A~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.
学科主题	化学
语种	中文
内容类型	期刊论文
源URL	[http://111.203.20.206/handle/2HMLN22E/100561]
专题	蔬菜花卉研究所
作者单位	1.College of Chemical Engineering, Zhejiang University of Technology, Hangzhou, 310014 2.Institute of Vegetables and Flowers, Chinese Academy of Agricultural Sciences, Beijing, 100014 3.Nankai University, Collaborative Innovation Center of Chemical Science and Engineering 4.State Key Laboratory of Elemento-organic Chemistry, Tianjin, 300071
推荐引用方式 GB/T 7714	Shen Zhonghua,Shi Yanxia,Yang Mingyan,et al. Synthesis, Crystal Structure, DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo [4,3-a] pyridine Moiety[J]. Chinese Journal of Structural Chemistry,2016,35(3):457-464.
APA	Shen Zhonghua.,Shi Yanxia.,Yang Mingyan.,Sun Zhaohui.,Weng Jianquan.,...&Zhao Weiguang.(2016).Synthesis, Crystal Structure, DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo [4,3-a] pyridine Moiety.Chinese Journal of Structural Chemistry,35(3),457-464.
MLA	Shen Zhonghua,et al."Synthesis, Crystal Structure, DFT Studies and Biological Activity of a Novel Schiff Base Containing Triazolo [4,3-a] pyridine Moiety".Chinese Journal of Structural Chemistry 35.3(2016):457-464.