Mercury(II) halide complex of cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)]

IF 0.5 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-01 DOI:10.1107/S205698902400937X

Troy Selby-Karney , Kalpana Sampath , Kuppuswamy Arumugam , Chandru P. Chandrasekaran

{"title":"Mercury(II) halide complex of cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)]","authors":"Troy Selby-Karney , Kalpana Sampath , Kuppuswamy Arumugam , Chandru P. Chandrasekaran","doi":"10.1107/S205698902400937X","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structure of a mercury(II) halide complex containing bis(tert-butylamido)cyclodiphosphazane ligand with an unusual chelation mode is reported. The molecular structure features weak N—H⋯O interactions that propagate and link the molecules into a three-dimensional structure.</div></div><div><div>The mercury(II) halide complex [1,3-di-tert-butyl-2,4-bis(tert-butylamino)-1,3,2λ5,4λ5-diazadiphosphetidine-2,4-diselone-κ2Se,Se′]diiodidomercury(II)N,N-dimethylformamide monosolvate, [HgI2(C16H38N4P2Se2)]·C3H7NO or (1)HgI2, 2, containing cis-[(tBuNH)(Se)P(μ-NtBu)2P(Se)(NHtBu)] (1) was synthesized and structurally characterized. The crystal structure of 2 confirms the chelation of chalcogen donors to HgI2 with a natural bite angle of 112.95 (2)°. The coordination geometry around mercury is distorted tetrahedral as indicated by the τ4 geometry index parameter (τ4 = 0.90). In the mercury complex, the exocyclic tert-butylamido substituents are arranged in an (endo, endo) fashion, whereas in the free ligand (1), the exocyclic substituents are arranged in an (exo, endo) pattern. Compound 2 displays non-classical N—H⋯O hydrogen-bonding interactions with the solvent N,N-dimethylformamide. These interactions may introduce geometrical distortion and deviation from an ideal geometry. An isostructural HgBr2 analogue containing cis-[(tBuNH)(S)P(μ-NtBu)2P(S)(NHtBu)] was also synthesized and structurally characterized, CIF data for the compound being presented as supporting information.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1142-1145"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660463/pdf/","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/S2056989024002512","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 a mercury(II) halide complex containing bis(tert-butylamido)cyclodiphosphazane ligand with an unusual chelation mode is reported. The molecular structure features weak N—H⋯O interactions that propagate and link the molecules into a three-dimensional structure.

The mercury(II) halide complex [1,3-di-tert-butyl-2,4-bis(tert-butylamino)-1,3,2λ⁵,4λ⁵-diazadiphosphetidine-2,4-diselone-κ²Se,Se′]diiodidomercury(II)N,N-dimethylformamide monosolvate, [HgI₂(C₁₆H₃₈N₄P₂Se₂)]·C₃H₇NO or (1)HgI₂, 2, containing cis-[(^tBuNH)(Se)P(μ-N^tBu)₂P(Se)(NH^tBu)] (1) was synthesized and structurally characterized. The crystal structure of 2 confirms the chelation of chalcogen donors to HgI₂ with a natural bite angle of 112.95 (2)°. The coordination geometry around mercury is distorted tetrahedral as indicated by the τ₄ geometry index parameter (τ₄ = 0.90). In the mercury complex, the exocyclic tert-butylamido substituents are arranged in an (endo, endo) fashion, whereas in the free ligand (1), the exocyclic substituents are arranged in an (exo, endo) pattern. Compound 2 displays non-classical N—H⋯O hydrogen-bonding interactions with the solvent N,N-dimethylformamide. These interactions may introduce geometrical distortion and deviation from an ideal geometry. An isostructural HgBr₂ analogue containing cis-[(^tBuNH)(S)P(μ-N^tBu)₂P(S)(NH^tBu)] was also synthesized and structurally characterized, CIF data for the compound being presented as supporting information.

查看原文本刊更多论文

顺式-[(t BuNH)(Se)P(μ-N t Bu)2P(Se)(NH t Bu)]的汞（II）卤化物配合物。

合成了含顺式-[(t BuNH)(Se)P(μ-N -t Bu)2P(Se)(NH t Bu)]（1)的汞（II）卤化物配合物[1,3-二叔丁基-2,4-二叔丁基-氨基）-1,3,2λ5,4λ5-二氮杂二磷酸-2,4-二甲基甲酰胺-κ2 Se，Se']二碘汞（II）N，N-二甲基甲酰胺单溶剂化物[HgI2(C16H38N4P2Se2)]·C3H7NO或(1)hgi2,2](1)。2的晶体结构证实了硫供体与HgI2的螯合作用，其自然咬合角为112.95(2)°。由τ4几何指数参数（τ4 = 0.90）可知，汞周围的配位几何是扭曲的四面体。在汞配合物中，外环叔丁基胺取代基以（内、内）方式排列，而在自由配体(1)中，外环取代基以（外、内）方式排列。化合物2与溶剂N，N-二甲基甲酰胺表现出非经典的N- h⋯O氢键相互作用。这些相互作用可能导致几何畸变和偏离理想几何。合成了一种含有顺式-[(t BuNH)(S)P(μ-N t Bu)2P(S)(NH t Bu)]的同构HgBr2类似物，并对其进行了结构表征，以CIF数据作为支持信息。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Acta Crystallographica Section E: Crystallographic Communications Chemistry-Chemistry (all)

CiteScore

1.90

自引率

0.00%

发文量

351

审稿时长

3 weeks

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.