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聚[μ-水合-双(μ-2-甲基丙酸根-κO:O')二钾]的晶体结构

Crystal structure of poly[μ-aqua-bis(μ-2-methylpropanoato-κ :,':')dipotassium].

作者信息

Fábry Jan, Samolová Erika

机构信息

Inst. of Physics of the Czech Academy of Sciences, Na Slovance 2, 182 21 Praha 8, Czech Republic.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Sep 22;76(Pt 10):1669-1674. doi: 10.1107/S2056989020012591. eCollection 2020 Oct 1.

DOI:10.1107/S2056989020012591
PMID:33117587
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7534236/
Abstract

The structure of the title compound, [K(CHO)(HO)] , is composed of stacked sandwiches, which are formed by cation-oxygen bilayers surrounded by methyl-ethyl hydro-phobic chains. These sandwiches are held together by van der Waals inter-actions between the methyl-ethyl groups. The methyl-ethyl groups are disordered over two positions with occupancies 0.801 (3):0.199 (3). The potassium cations are coordinated by seven O atoms, which form an irregular polyhedron. There is a water mol-ecule, the oxygen atom of which is situated in a special position on a twofold axis (Wyckoff position 4). The water H atoms are involved in O-H⋯O hydrogen bonds of moderate strength. These hydrogen bonds are situated within the cation-oxygen, hydro-philic, bilayer.

摘要

标题化合物[K(CHO)(HO)] 的结构由堆叠的三明治结构组成，这些三明治结构由阳离子 - 氧双层构成，周围环绕着甲基 - 乙基疏水链。这些三明治结构通过甲基 - 乙基基团之间的范德华相互作用结合在一起。甲基 - 乙基基团在两个位置上无序分布，占有率分别为0.801 (3):0.199 (3)。钾阳离子由七个O原子配位，形成一个不规则多面体。有一个水分子，其氧原子位于二重轴上的一个特殊位置（Wyckoff位置4）。水分子的H原子参与中等强度的O - H⋯O氢键。这些氢键位于阳离子 - 氧的亲水双层内。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/be703ae250e2/e-76-01669-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/0cbd279d00a6/e-76-01669-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/c9ebeaf0dfb3/e-76-01669-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/0037cc8663c2/e-76-01669-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/be703ae250e2/e-76-01669-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/0cbd279d00a6/e-76-01669-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/c9ebeaf0dfb3/e-76-01669-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/0037cc8663c2/e-76-01669-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8f37/7534236/be703ae250e2/e-76-01669-fig4.jpg

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