Crystal structure and characterization of a new chain-like polyrotaxane zinc(II) coordination polymer with mixed pyridine-2,6-dicarboxylate and 1,4-bis(1 H -imidazol-1-ylmethyl)benzene ligands
Year: 2025
Type: article
Abstract: A new chain-like polyrotaxane Zn II coordination polymer, catena -poly[[[[(pyridine-2,6-dicarboxylato-κ 3 O , N , O ′)zinc(II)]-μ-1,4-bis(1 H -imidazol-1-ylmethyl)benzene-κ 2 N 1 : N 1′ ] hemi{bis[μ-1,4-bis(1 H -imidazol-1-ylmethyl)benzene-κ 2 N 1 : N 1′ ]bis[(pyridine-2,6-dicarboxylato-κ 3 O , N , O ′)zinc(II)]}] nonahydrate], {[Zn(C 7 H 3 NO 4 )(C 14 H 14 N 4 )][Zn 2 (C 7 H 3 NO 4 ) 2 (C 14 H 14 N 4 ) 2 ] 0.5 ·9H 2 O} n or {[Zn 2 (2,6-PDC) 2 (bix) 2 ]·9H 2 O} n [where 2,6-PDC = pyridine-2,6-dicarboxylate, C 7 H 3 NO 4 , and bix = 1,4-bis(1 H -imidazol-1-ylmethyl)benzene, C 14 H 14 N 4 ], 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 [Zn 2 (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.
Institution: Thammasat University
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $500
Funder: Thammasat University
OpenAlex ID: W4410874044