Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands

IF 0.6 Q4 CRYSTALLOGRAPHY

Acta Crystallographica Section E: Crystallographic Communications Pub Date : 2025-06-01 DOI:10.1107/S2056989025004608

Chanikarn Kummuang , Kittipong Chainok , Nanthawat Wannarit

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引用次数: 0

Abstract

The crystal structure of a new polyrotaxane Zn^II coordination polymer, {[Zn₂(2,6-PDC)₂(bix)₂]·9H₂O}_n, is comprised of dinuclear macrocyclic units and a zigzag chain-like structure extending parallel to [101].

A new chain-like polyrotaxane Zn^II coordination polymer, catena-poly[[[[(pyridine-2,6-dicarboxylato-κ³O,N,O′)zinc(II)]-μ-1,4-bis(1H-imidazol-1-ylmethyl)benzene-κ²N¹:N^1′] hemi{bis[μ-1,4-bis(1H-imidazol-1-ylmethyl)benzene-κ²N¹:N^1′]bis[(pyridine-2,6-dicarboxylato-κ³O,N,O′)zinc(II)]}] nonahydrate], {[Zn(C₇H₃NO₄)(C₁₄H₁₄N₄)][Zn₂(C₇H₃NO₄)₂(C₁₄H₁₄N₄)₂]_0.5·9H₂O}_n or {[Zn₂(2,6-PDC)₂(bix)₂]·9H₂O}_n [where 2,6-PDC = pyridine-2,6-dicarboxylate, C₇H₃NO₄, and bix = 1,4-bis(1H-imidazol-1-ylmethyl)benzene, C₁₄H₁₄N₄], was synthesized and characterized. The molecular structure comprises two Zn^II units. Both Zn^II ions are fivefold coordinated, with the coordination sphere intermediate between trigonal-bipyramidal and square-pyramidal, as defined by two bix ligands and one 2,6-PDC tridentate chelating ligand. For one of the units, two Zn^II ions are bridged by gauche-bix ligands, providing a dinuclear [Zn₂(2,6-PDC)₂(bix)₂] macrocycle. The other unit is built by trans-bix bridging ligands, leading to a zigzag chain-like structure. Interestingly, these two entities are interweaved, leading to a polyrotaxane structure extending parallel to [101]. The crystal structure is consolidated by hydrogen-bonding, π–π and C—H⋯π intermolecular interactions.

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吡啶-2,6-二羧酸酯和1,4-二-（1h -咪唑-1-基甲基）苯混合配体的新型链状聚轮烷锌配位聚合物的晶体结构和表征

一个新的连锁polyrotaxane ZnII配位聚合物,catena-poly [[[[(pyridine-2, 6-di-carboxyl-ato -κ3 O, N, O’)锌(II)] -μ1,4-bis - (1 h-imidazol-1-ylmeth-yl)苯-κ2 N 1: N 1 ')半{bis -(μ1,4-bis - (1 h-imidazol-1-ylmeth-yl)苯-κ2 N 1: N 1 '] bis - [(pyridine-2, 6-di-carboxyl-ato -κ3 O, N, O ')锌(II)]}] nona-hydrate],{[锌(C7H3NO4) (C14H14N4)] [Zn2 (C7H3NO4) 2 (C14H14N4) 2] 0.5 9·h2o} N或{[Zn2 (6-PDC) 2 (bix) 2] 9·h2o} N [2, 6-PDC = pyridine-2 6-di-carboxyl-ate, C7H3NO4,和bix = 1,4-二-（1h -咪唑-1-基甲基）苯，C14H14N4]合成并表征。分子结构包括两个ni单元。两种离子均为五重配位，配位球介于三角双锥体和方锥体之间，由两个双配体和一个2,6- pdc三齿螯合配体定义。对于其中一个单元，两个ni离子被间隙双联配体桥接，形成一个双核[Zn2(2,6- pdc)2(bix)2]大环。另一个单元是由跨双桥接配体构建的，形成锯齿状链状结构。有趣的是，这两个实体相互交织，导致聚轮烷结构平行延伸至[101]。晶体结构由氢键、π-π和C-H⋯π分子间相互作用巩固。

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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.

Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-di­carboxyl­ate and 1,4-bis­(1H-imidazol-1-ylmeth­yl)benzene ligands

Abstract

Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1H-imidazol-1-ylmethyl)benzene ligands