{"title":"XRD/HSA-interactions, Hirshfeld analysis, HOMO/LUMO and MEP of new N'-(di(pyridin-2-yl)methylene DFT)benzohydrazide","authors":"I. Warad","doi":"10.48317/IMIST.PRSM/MORJCHEM-V9I1.24349","DOIUrl":null,"url":null,"abstract":"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.","PeriodicalId":18768,"journal":{"name":"Moroccan Journal of Chemistry","volume":" ","pages":""},"PeriodicalIF":2.4000,"publicationDate":"2021-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Moroccan Journal of Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.48317/IMIST.PRSM/MORJCHEM-V9I1.24349","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 1
Abstract
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.
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