Kummuang Chanikarn, Chainok Kittipong, Wannarit Nanthawat
Department of Chemistry Faculty of Science and Technology Thammasat University, Pathum Thani 12121 Thailand.
Thammasat University Research Unit in Multifunctional Crystalline Materials and Applications (TU-MCMA) Faculty of Science and Technology Thammasat University Pathum Thani 12121 Thailand.
Acta Crystallogr E Crystallogr Commun. 2025 May 30;81(Pt 6):559-564. doi: 10.1107/S2056989025004608. eCollection 2025 Jun 1.
A new chain-like polyrotaxane Zn coordination polymer, -poly[[[[(pyridine-2,6-di-carboxyl-ato-κ ,,')zinc(II)]-μ-1,4-bis-(1-imidazol-1-ylmeth-yl)benzene-κ : ] hemi{bis-[μ-1,4-bis-(1-imidazol-1-ylmeth-yl)benzene-κ : ]bis-[(pyridine-2,6-di-carboxyl-ato-κ ,,')zinc(II)]}] nona-hydrate], {[Zn(CHNO)(CHN)][Zn(CHNO)(CHN)]·9HO} or {[Zn(2,6-PDC)(bix)]·9HO} [where 2,6-PDC = pyridine-2,6-di-carboxyl-ate, CHNO, and bix = 1,4-bis-(1-imidazol-1-ylmeth-yl)benzene, CHN], was synthesized and characterized. The mol-ecular structure comprises two Zn units. Both Zn ions are fivefold coordinated, with the coordination sphere inter-mediate 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 ions are bridged by -bix ligands, providing a dinuclear [Zn(2,6-PDC)(bix)] macrocycle. The other unit is built by -bix bridging ligands, leading to a zigzag chain-like structure. Inter-estingly, these two entities are inter-weaved, leading to a polyrotaxane structure extending parallel to [101]. The crystal structure is consolidated by hydrogen-bonding, π-π and C-H⋯π inter-molecular inter-actions.
一种新型链状聚轮烷锌配位聚合物，聚[[[[(吡啶 - 2,6 - 二羧酸根 - κ²,κ⁶')锌(II)] - μ - 1,4 - 双(1 - 咪唑 - 1 - 基甲基)苯 - κ²: ]半{双[μ - 1,4 - 双(1 - 咪唑 - 1 - 基甲基)苯 - κ²: ]双[(吡啶 - 2,6 - 二羧酸根 - κ²,κ⁶')锌(II)]}]九水合物]，{[Zn(C₇H₄NO₄)(C₁₂H₁₂N₄)][Zn(C₇H₄NO₄)(C₁₂H₁₂N₄)]·9H₂O} 或 {[Zn(2,6 - PDC)(bix)]·9H₂O} [其中 2,6 - PDC = 吡啶 - 2,6 - 二羧酸盐，C₇H₄NO₄，且 bix = 1,4 - 双(1 - 咪唑 - 1 - 基甲基)苯，C₁₂H₁₂N₄]，已被合成并表征。分子结构包含两个锌单元。两个锌离子均为五配位，其配位球介于三角双锥和四方锥之间，由两个 bix 配体和一个 2,6 - PDC 三齿螯合配体所界定。对于其中一个单元，两个锌离子由 μ - bix 配体桥连，形成一个双核[Zn(2,6 - PDC)(bix)]大环。另一个单元由 μ - bix 桥连配体构建，形成一个锯齿状链状结构。有趣的是，这两个实体相互交织，导致形成一个平行于[101]延伸的聚轮烷结构。晶体结构通过氢键、π - π 和 C - H⋯π 分子间相互作用得以巩固。
