XRD/HSA-interactions, Hirshfeld analysis, HOMO/LUMO and MEP of new N′-(di(pyridin-2-yl)methylene DFT)benzohydrazide

被引：0
|
作者：
Warad, Ismail [1 ]
机构：
[1] Qatar Univ, Coll Arts & Sci, Dept Chem & Earth Sci, POB 2713, Doha, Qatar
来源：
MOROCCAN JOURNAL OF CHEMISTRY | 2021年 / 9卷 / 01期
关键词：
Crystal structures; MEP; DFT; Hirshfeld surface; CRYSTAL INTERACTIONS; SCHIFF-BASE; DNA-BINDING; COMPLEXES; CORROSION; SURFACE; DESIGN; XRD;
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
A new functionalized Schiff base N'-(di(pyridin-2-yl)methylene)benzohydrazide Schiff base (HZSB) was prepared in a high yield via condensation of benzohydrazide with di(pyridin-2-yl)methanone in ethanol solution under reflux condition. The prepared HZSB was characterized by XRD, DFT and computed via Hirshfeld surface analysis (HSA). The measured XRD structural parameters like angles lengths and bonds were matching with their DFT computed relatives.
引用
收藏
页码：168 / 176
页数：9
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