Crystal structure of [Ni(OH2)6]Cl2·(18-crown-6)2·2H2O

IF 0.5 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-01 DOI:10.1107/S2056989024010041

Jacob P. Brannon , Kevin Liang , S. Chantal E. Stieber

{"title":"Crystal structure of [Ni(OH2)6]Cl2·(18-crown-6)2·2H2O","authors":"Jacob P. Brannon , Kevin Liang , S. Chantal E. Stieber","doi":"10.1107/S2056989024010041","DOIUrl":null,"url":null,"abstract":"<div><div>A new crystal structure of [Ni(OH2)6]Cl2·(18-crown-6)2·2H2O is reported, demonstrating the effect a small chloride counter-ion has on the hydrogen-bonding network.</div></div><div><div>The crystal structure of the title compound, hexaaquanickel(II) dichloride–1,4,7,10,13,16-hexaoxacyclooctadecane–water (1/2/2), [Ni(H2O)6]Cl2·2C12H24O6·2H2O, is reported. The asymmetric unit contains half of the Ni(OH2)6 moiety with a formula of C12H32ClNi0.50O10 at 105 K and triclinic (P1) symmetry. The [Ni(OH2)6]2+ cation has close to ideal octahedral geometry with O—Ni—O bond angles that are within 3° of idealized values. The supramolecular structure includes hydrogen bonding between the water ligands, 18-crown-6 molecules, Cl− anions, and co-crystallized water solvent. Two crown ether molecules flank the [Ni(OH2)6]2+ molecule at the axial positions in a sandwich-like structure. The relatively symmetric hydrogen-bonding network is enabled by small Cl− counter-ions and likely influences the more idealized octahedral geometry of [Ni(OH2)6]2+.</div></div>","PeriodicalId":7367,"journal":{"name":"Acta Crystallographica Section E: Crystallographic Communications","volume":"80 11","pages":"Pages 1190-1193"},"PeriodicalIF":0.5000,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11660469/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/S2056989024002391","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

A new crystal structure of [Ni(OH₂)₆]Cl₂·(18-crown-6)₂·2H₂O is reported, demonstrating the effect a small chloride counter-ion has on the hydrogen-bonding network.

The crystal structure of the title compound, hexaaquanickel(II) dichloride–1,4,7,10,13,16-hexaoxacyclooctadecane–water (1/2/2), [Ni(H₂O)₆]Cl₂·2C₁₂H₂₄O₆·2H₂O, is reported. The asymmetric unit contains half of the Ni(OH₂)₆ moiety with a formula of C₁₂H₃₂ClNi_0.50O₁₀ at 105 K and triclinic (P1) symmetry. The [Ni(OH₂)₆]²⁺ cation has close to ideal octahedral geometry with O—Ni—O bond angles that are within 3° of idealized values. The supramolecular structure includes hydrogen bonding between the water ligands, 18-crown-6 molecules, Cl⁻ anions, and co-crystallized water solvent. Two crown ether molecules flank the [Ni(OH₂)₆]²⁺ molecule at the axial positions in a sandwich-like structure. The relatively symmetric hydrogen-bonding network is enabled by small Cl⁻ counter-ions and likely influences the more idealized octahedral geometry of [Ni(OH₂)₆]²⁺.

查看原文

微信好友朋友圈 QQ好友复制链接

本刊更多论文

[Ni(OH2)6]Cl2·（18-冠-6）2·2H2O的晶体结构

报道了标题化合物六水镍（II）二氯-1,4,7,10,13,16-六氧-环八-十烷-水（1/2/2）[Ni(H2O)6]Cl2·2C12H24O6·2H2O的晶体结构。不对称单元含有一半的Ni(OH2)6基团，其分子式为105k时的C12H32ClNi0.50O10，具有三斜（P1）对称性。[Ni(OH2)6]2+阳离子具有接近理想的八面体几何形状，O-Ni-O键角与理想值相差在3°以内。超分子结构包括水配体之间的氢键、18冠6分子、Cl-阴离子和共结晶的水溶剂。两个冠醚分子在[Ni(OH2)6]2+分子的轴向位置形成三明治状结构。相对对称的氢键网络是由小的Cl-反离子实现的，并可能影响更理想的[Ni(OH2)6]2+的八面体几何形状。

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分钟内获得全文去求助

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.