Abnormal conformation change of an asymmetrical triaryltriazole before and after its coordination

Guo Ping Shen; Jian Zhao; Jing Jing Jiang; Qin Liu; Xuan Shen; Yan Xu; Dun Ru Zhu; Xiao Qin Liu

doi:10.1016/j.molstruc.2011.07.017

Abnormal conformation change of an asymmetrical triaryltriazole before and after its coordination

Guo Ping Shen, Jian Zhao, Jing Jing Jiang, Qin Liu, Xuan Shen, Yan Xu, Dun Ru Zhu, Xiao Qin Liu

COLLEGE OF CHEMICAL ENGINEERING

Research output: Contribution to journal › Article › peer-review

19 Scopus citations

Abstract

A new asymmetrical substituted triaryltriazole ligand, 3-(p-methoxyphenyl)- 4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4-triazole (L) and its complexes, trans-[MnL₂(NCS)₂] (1) and trans-[CuL₂(ClO ₄)₂] (2), have been successfully synthesized and characterized by UV, IR, ESI-MS, elemental analyses and single-crystal X-ray diffraction methods. In the structure, two L ligands are mainly stabilized by two kinds of intermolecular π⋯π interactions. In the complexes, each L ligand involves a chelating bidentate coordination mode via N atom of pyridyl group and one N atom of the triazole. Both complexes show a distorted octahedron containing two trans-coordinated anions in 1 with NCS^- but in 2 with ClO4-. The dihedral angle between the pyridyl and triazole ring in the free L ligand, 1 and 2 is 0.8(2)°, 12.8(2)° and 9.3(2)°, respectively, which represents the first example that the triazole-pyridyl twist angle in the complexes of any triaryltriazole is larger than that in the free L ligand.

Original language	English
Pages (from-to)	159-166
Number of pages	8
Journal	Journal of Molecular Structure
Volume	1002
Issue number	1-3
DOIs	https://doi.org/10.1016/j.molstruc.2011.07.017
State	Published - 14 Sep 2011

Keywords

Complexes
Conformation change
Crystal structures
Syntheses
Triazole

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10.1016/j.molstruc.2011.07.017

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title = "Abnormal conformation change of an asymmetrical triaryltriazole before and after its coordination",

abstract = "A new asymmetrical substituted triaryltriazole ligand, 3-(p-methoxyphenyl)- 4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4-triazole (L) and its complexes, trans-[MnL2(NCS)2] (1) and trans-[CuL2(ClO 4)2] (2), have been successfully synthesized and characterized by UV, IR, ESI-MS, elemental analyses and single-crystal X-ray diffraction methods. In the structure, two L ligands are mainly stabilized by two kinds of intermolecular π⋯π interactions. In the complexes, each L ligand involves a chelating bidentate coordination mode via N atom of pyridyl group and one N atom of the triazole. Both complexes show a distorted octahedron containing two trans-coordinated anions in 1 with NCS- but in 2 with ClO4-. The dihedral angle between the pyridyl and triazole ring in the free L ligand, 1 and 2 is 0.8(2)°, 12.8(2)° and 9.3(2)°, respectively, which represents the first example that the triazole-pyridyl twist angle in the complexes of any triaryltriazole is larger than that in the free L ligand.",

keywords = "Complexes, Conformation change, Crystal structures, Syntheses, Triazole",

author = "Shen, {Guo Ping} and Jian Zhao and Jiang, {Jing Jing} and Qin Liu and Xuan Shen and Yan Xu and Zhu, {Dun Ru} and Liu, {Xiao Qin}",

year = "2011",

month = sep,

day = "14",

doi = "10.1016/j.molstruc.2011.07.017",

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volume = "1002",

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T1 - Abnormal conformation change of an asymmetrical triaryltriazole before and after its coordination

AU - Shen, Guo Ping

AU - Zhao, Jian

AU - Jiang, Jing Jing

AU - Liu, Qin

AU - Shen, Xuan

AU - Xu, Yan

AU - Zhu, Dun Ru

AU - Liu, Xiao Qin

PY - 2011/9/14

Y1 - 2011/9/14

N2 - A new asymmetrical substituted triaryltriazole ligand, 3-(p-methoxyphenyl)- 4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4-triazole (L) and its complexes, trans-[MnL2(NCS)2] (1) and trans-[CuL2(ClO 4)2] (2), have been successfully synthesized and characterized by UV, IR, ESI-MS, elemental analyses and single-crystal X-ray diffraction methods. In the structure, two L ligands are mainly stabilized by two kinds of intermolecular π⋯π interactions. In the complexes, each L ligand involves a chelating bidentate coordination mode via N atom of pyridyl group and one N atom of the triazole. Both complexes show a distorted octahedron containing two trans-coordinated anions in 1 with NCS- but in 2 with ClO4-. The dihedral angle between the pyridyl and triazole ring in the free L ligand, 1 and 2 is 0.8(2)°, 12.8(2)° and 9.3(2)°, respectively, which represents the first example that the triazole-pyridyl twist angle in the complexes of any triaryltriazole is larger than that in the free L ligand.

AB - A new asymmetrical substituted triaryltriazole ligand, 3-(p-methoxyphenyl)- 4-(p-bromophenyl)-5-(2-pyridyl)-1,2,4-triazole (L) and its complexes, trans-[MnL2(NCS)2] (1) and trans-[CuL2(ClO 4)2] (2), have been successfully synthesized and characterized by UV, IR, ESI-MS, elemental analyses and single-crystal X-ray diffraction methods. In the structure, two L ligands are mainly stabilized by two kinds of intermolecular π⋯π interactions. In the complexes, each L ligand involves a chelating bidentate coordination mode via N atom of pyridyl group and one N atom of the triazole. Both complexes show a distorted octahedron containing two trans-coordinated anions in 1 with NCS- but in 2 with ClO4-. The dihedral angle between the pyridyl and triazole ring in the free L ligand, 1 and 2 is 0.8(2)°, 12.8(2)° and 9.3(2)°, respectively, which represents the first example that the triazole-pyridyl twist angle in the complexes of any triaryltriazole is larger than that in the free L ligand.

KW - Complexes

KW - Conformation change

KW - Crystal structures

KW - Syntheses

KW - Triazole

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JO - Journal of Molecular Structure

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ER -

Abnormal conformation change of an asymmetrical triaryltriazole before and after its coordination

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Keywords

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