Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers

Yun Ling; Lei Zhang; Jing Li; Shuan Shi Fan; Miao Du

doi:10.1039/b914049b

Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers

Yun Ling, Lei Zhang, Jing Li, Shuan Shi Fan, Miao Du

Rutgers University

Research output: Contribution to journal › Article

27 Citations (Scopus)

Abstract

Six Cd(II) coordination polymers with a flexible fulconazole ligand, {[Cd(HFlu)₂(H₂O)₂](ClO₄) ₂}_n (1), {[Cd(HFlu)₃(NO₃)] ₂(NO₃)₂·H₂O}_n (2), {[Cd(HFlu)₂(SCN)](ClO₄)}_n (3), {[Cd(HFlu) ₂(SCN)](NO₃)}_n (4), {[Cd(HFlu) ₂Cl](SCN)}_n (5) and {[Cd(HFlu)₂(SCN) ₂]·2H₂O}_n (6) [HFlu = 2-(2′,4′-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol] have been synthesized and characterized by single-crystal X-ray diffraction. Complex 1 presents a 1-D chain-like structure with anti-gauche (A-G) conformation of HFlu. Complex 2 shows a 1-D ladder-like structure with both A-G and anti-anti (A-A) conformations of HFlu, and complexes 3, 4 and 5 show the 2-D grid structures bridged by A-G and A-A HFlu. However, in the 2-D grid network of 6, only A-A conformation of HFlu is observed. The conformational change of the HFlu ligand is induced step-by-step by the addition of the SCN^- inorganic anion. The thermal stability and fluorescence of these complexes have also been studied.

Original language	English
Pages (from-to)	604-611
Number of pages	8
Journal	CrystEngComm
Volume	12
Issue number	2
DOIs	https://doi.org/10.1039/b914049b
Publication status	Published - Apr 6 2010

ASJC Scopus subject areas

Chemistry(all)
Materials Science(all)
Condensed Matter Physics

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Ling, Y., Zhang, L., Li, J., Fan, S. S., & Du, M. (2010). Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers. CrystEngComm, 12(2), 604-611. https://doi.org/10.1039/b914049b

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title = "Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers",

abstract = "Six Cd(II) coordination polymers with a flexible fulconazole ligand, {[Cd(HFlu)2(H2O)2](ClO4) 2}n (1), {[Cd(HFlu)3(NO3)] 2(NO3)2·H2O}n (2), {[Cd(HFlu)2(SCN)](ClO4)}n (3), {[Cd(HFlu) 2(SCN)](NO3)}n (4), {[Cd(HFlu) 2Cl](SCN)}n (5) and {[Cd(HFlu)2(SCN) 2]·2H2O}n (6) [HFlu = 2-(2′,4′-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol] have been synthesized and characterized by single-crystal X-ray diffraction. Complex 1 presents a 1-D chain-like structure with anti-gauche (A-G) conformation of HFlu. Complex 2 shows a 1-D ladder-like structure with both A-G and anti-anti (A-A) conformations of HFlu, and complexes 3, 4 and 5 show the 2-D grid structures bridged by A-G and A-A HFlu. However, in the 2-D grid network of 6, only A-A conformation of HFlu is observed. The conformational change of the HFlu ligand is induced step-by-step by the addition of the SCN- inorganic anion. The thermal stability and fluorescence of these complexes have also been studied.",

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T1 - Thiocyanate-induced conformational transformation of a flexible fluconazole ligand in Cd(II) coordination polymers

AU - Ling, Yun

AU - Zhang, Lei

AU - Li, Jing

AU - Fan, Shuan Shi

AU - Du, Miao

PY - 2010/4/6

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N2 - Six Cd(II) coordination polymers with a flexible fulconazole ligand, {[Cd(HFlu)2(H2O)2](ClO4) 2}n (1), {[Cd(HFlu)3(NO3)] 2(NO3)2·H2O}n (2), {[Cd(HFlu)2(SCN)](ClO4)}n (3), {[Cd(HFlu) 2(SCN)](NO3)}n (4), {[Cd(HFlu) 2Cl](SCN)}n (5) and {[Cd(HFlu)2(SCN) 2]·2H2O}n (6) [HFlu = 2-(2′,4′-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol] have been synthesized and characterized by single-crystal X-ray diffraction. Complex 1 presents a 1-D chain-like structure with anti-gauche (A-G) conformation of HFlu. Complex 2 shows a 1-D ladder-like structure with both A-G and anti-anti (A-A) conformations of HFlu, and complexes 3, 4 and 5 show the 2-D grid structures bridged by A-G and A-A HFlu. However, in the 2-D grid network of 6, only A-A conformation of HFlu is observed. The conformational change of the HFlu ligand is induced step-by-step by the addition of the SCN- inorganic anion. The thermal stability and fluorescence of these complexes have also been studied.

AB - Six Cd(II) coordination polymers with a flexible fulconazole ligand, {[Cd(HFlu)2(H2O)2](ClO4) 2}n (1), {[Cd(HFlu)3(NO3)] 2(NO3)2·H2O}n (2), {[Cd(HFlu)2(SCN)](ClO4)}n (3), {[Cd(HFlu) 2(SCN)](NO3)}n (4), {[Cd(HFlu) 2Cl](SCN)}n (5) and {[Cd(HFlu)2(SCN) 2]·2H2O}n (6) [HFlu = 2-(2′,4′-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)-propan-2-ol] have been synthesized and characterized by single-crystal X-ray diffraction. Complex 1 presents a 1-D chain-like structure with anti-gauche (A-G) conformation of HFlu. Complex 2 shows a 1-D ladder-like structure with both A-G and anti-anti (A-A) conformations of HFlu, and complexes 3, 4 and 5 show the 2-D grid structures bridged by A-G and A-A HFlu. However, in the 2-D grid network of 6, only A-A conformation of HFlu is observed. The conformational change of the HFlu ligand is induced step-by-step by the addition of the SCN- inorganic anion. The thermal stability and fluorescence of these complexes have also been studied.

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