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

IF 0.6 Q4 CRYSTALLOGRAPHY Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2024-10-01 Epub Date: 2024-10-24 DOI:10.1107/S2056989024010041

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

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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⁺.

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[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。

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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.