Christian S Parry, Alex R Abraham, Samuel K Kwofie, Michael D Wilson, Timothy R Ramadhar, Raymond J Butcher
{"title":"与芳香族席夫碱螯合剂N,N-二甲基-2-[苯基(吡啶-2-基)甲基二烯]肼-1-碳硫酰胺和N-乙基-2-[苯基(吡啶-2-基)甲基二烯]肼-1-碳硫酰胺的双核醋酸锌桥接化合物的合成和结构","authors":"Christian S Parry, Alex R Abraham, Samuel K Kwofie, Michael D Wilson, Timothy R Ramadhar, Raymond J Butcher","doi":"10.1107/S2056989025005407","DOIUrl":null,"url":null,"abstract":"<p><p>In the centrosymmetric title complexes, di-μ-acetato-bis({<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn<sub>2</sub>(C<sub>15</sub>H<sub>15</sub>N<sub>4</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (<b>I</b>), and di-μ-acetato-bis({<i>N</i>-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn<sub>2</sub>(C<sub>16</sub>H<sub>17</sub>N<sub>4</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (<b>II</b>), the zinc ions are chelated by the <i>N</i>,<i>N</i>,<i>S</i>-tridentate ligands and bridged by pairs of acetate ions. The acetate ion in (<b>I</b>) is disordered over two orientations in a 0.756 (6):0.244 (6) ratio, leading to different zinc coordination modes for the major (5-coordinate) and minor (6-coordinate) disorder components. Geometrical indices [τ<sub>5</sub> = 0.32 and 0.30 for (<b>I</b>) (major component) and (<b>II</b>), respectively] suggest the zinc coordination in these phases to be distorted square pyramidal. This study forms part of our aim to discern the mechanism of metal binding in these chelators, their specificity and selectivity, and to gain insight into the role of cellular zinc in physiological processes such as infection, immunity and cancer.</p>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"81 Pt 7","pages":"636-641"},"PeriodicalIF":0.5000,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230617/pdf/","citationCount":"0","resultStr":"{\"title\":\"Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators <i>N</i>,<i>N</i>-dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbothio-amide and <i>N</i>-ethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbo-thio-amide.\",\"authors\":\"Christian S Parry, Alex R Abraham, Samuel K Kwofie, Michael D Wilson, Timothy R Ramadhar, Raymond J Butcher\",\"doi\":\"10.1107/S2056989025005407\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>In the centrosymmetric title complexes, di-μ-acetato-bis({<i>N</i>,<i>N</i>-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn<sub>2</sub>(C<sub>15</sub>H<sub>15</sub>N<sub>4</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (<b>I</b>), and di-μ-acetato-bis({<i>N</i>-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn<sub>2</sub>(C<sub>16</sub>H<sub>17</sub>N<sub>4</sub>S)<sub>2</sub>(C<sub>2</sub>H<sub>3</sub>O<sub>2</sub>)<sub>2</sub>] (<b>II</b>), the zinc ions are chelated by the <i>N</i>,<i>N</i>,<i>S</i>-tridentate ligands and bridged by pairs of acetate ions. The acetate ion in (<b>I</b>) is disordered over two orientations in a 0.756 (6):0.244 (6) ratio, leading to different zinc coordination modes for the major (5-coordinate) and minor (6-coordinate) disorder components. Geometrical indices [τ<sub>5</sub> = 0.32 and 0.30 for (<b>I</b>) (major component) and (<b>II</b>), respectively] suggest the zinc coordination in these phases to be distorted square pyramidal. This study forms part of our aim to discern the mechanism of metal binding in these chelators, their specificity and selectivity, and to gain insight into the role of cellular zinc in physiological processes such as infection, immunity and cancer.</p>\",\"PeriodicalId\":7367,\"journal\":{\"name\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"volume\":\"81 Pt 7\",\"pages\":\"636-641\"},\"PeriodicalIF\":0.5000,\"publicationDate\":\"2025-06-24\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12230617/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Crystallographica Section E: Crystallographic Communications\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2056989025005407\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2025/7/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"Q4\",\"JCRName\":\"CRYSTALLOGRAPHY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Acta Crystallographica Section E: Crystallographic Communications","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2056989025005407","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/7/1 0:00:00","PubModel":"eCollection","JCR":"Q4","JCRName":"CRYSTALLOGRAPHY","Score":null,"Total":0}
Syntheses and structures of dinuclear zinc(II) acetate-bridged coordination compounds with the aromatic Schiff base chelators N,N-dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbothio-amide and N-ethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbo-thio-amide.
In the centrosymmetric title complexes, di-μ-acetato-bis({N,N-dimethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn2(C15H15N4S)2(C2H3O2)2] (I), and di-μ-acetato-bis({N-ethyl-2-[phenyl(pyridin-2-yl)methylidene]hydrazine-1-carbothioamidato}zinc(II)), [Zn2(C16H17N4S)2(C2H3O2)2] (II), the zinc ions are chelated by the N,N,S-tridentate ligands and bridged by pairs of acetate ions. The acetate ion in (I) is disordered over two orientations in a 0.756 (6):0.244 (6) ratio, leading to different zinc coordination modes for the major (5-coordinate) and minor (6-coordinate) disorder components. Geometrical indices [τ5 = 0.32 and 0.30 for (I) (major component) and (II), respectively] suggest the zinc coordination in these phases to be distorted square pyramidal. This study forms part of our aim to discern the mechanism of metal binding in these chelators, their specificity and selectivity, and to gain insight into the role of cellular zinc in physiological processes such as infection, immunity and cancer.
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.