{"title":"Crystal structure and Hirshfeld surface analysis of aqua(1H-imidazole-κN3)[N-(2-oxidobenzylidene)threonato-κ3O,N,O′]zinc(II)","authors":"Fumishi Yoshizawa , Anna Okui , Daisuke Nakane , Takashiro Akitsu","doi":"10.1107/S2056989025002385","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structure of the amino acid Schiff base zinc(II) complex synthesized from salicylaldehyde, <span>l</span>-threonine and zinc(II) acetate is reported.</div></div><div><div>The title complex, [Zn(C<sub>11</sub>H<sub>11</sub>NO<sub>4</sub>)(C<sub>3</sub>H<sub>4</sub>N<sub>2</sub>)(H<sub>2</sub>O)], which includes a tridentate ligand, was synthesized from <span>l</span>-threonine and salicylaldehyde. One water molecule and one imidazole molecule additionally coordinate the zinc(II) center in a distorted trigonal–bipyramidal geometry. The crystal structure features N—H⋯O and O—H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H/H⋯H (50.7%) and O⋯H/H⋯O (25.0%) contacts.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 4","pages":"Pages 332-335"},"PeriodicalIF":0.5000,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2056989025000532","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
引用次数: 0
Abstract
The crystal structure of the amino acid Schiff base zinc(II) complex synthesized from salicylaldehyde, l-threonine and zinc(II) acetate is reported.
The title complex, [Zn(C11H11NO4)(C3H4N2)(H2O)], which includes a tridentate ligand, was synthesized from l-threonine and salicylaldehyde. One water molecule and one imidazole molecule additionally coordinate the zinc(II) center in a distorted trigonal–bipyramidal geometry. The crystal structure features N—H⋯O and O—H⋯O hydrogen bonds. A Hirshfeld surface analysis indicates that the most important contributions to the packing are from H⋯H/H⋯H (50.7%) and O⋯H/H⋯O (25.0%) contacts.
期刊介绍:
Acta Crystallographica Section E: Crystallographic Communications is the IUCr''s open-access structural communications journal. It provides a fast, simple and easily accessible publication mechanism for crystal structure determinations of inorganic, metal-organic and organic compounds. The electronic submission, validation, refereeing and publication facilities of the journal ensure rapid and high-quality publication of fully validated structures. The primary article category is Research Communications; these are peer-reviewed articles describing one or more structure determinations with appropriate discussion of the science.