Synthesis and crystal structure of an M4L6 tetrahedral cage with outward-facing pockets from a substituted pyrazolyl–pyridine ligand

Nawal Al-Rasbi, Michael D. Ward

Research output: Contribution to journalArticle

Abstract

The self-assembly of metal–polydentate ligands to give supramolecular tetrahedral complexes is of considerable current interest. A new ligand, 4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]methyl}benzyl)-1H-pyrazol-3-yl]pyridine (L), with chelating pyrazolyl–pyridine units substituted on the 4-position of the pyridyl ring with benzyl units, has been synthesized and fully characterized. The self-assembly of L with cobalt(II) gave rise to a tetrahedral cage (hexakis{μ-4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]-methyl}benzyl)-1H-pyrazol-3-yl]pyridine}perchloratotetracobalt(II) octakis-(perchlorate) acetonitrile undecasolvate, [Co4(ClO4)(C38H32N6)6](ClO4)7.-11CH3CN) with approximate T symmetry. The X-ray crystal structure of the cage, i.e. [Co4L6⊂ClO4](ClO4)7, shows that the substituted benzyl groups are oriented away from the centres of their respective ligands towards the CoII vertices, making small outward-facing pockets from three benzyl rings at the corners of the tetrahedron.

Original languageEnglish
Pages (from-to)961-966
Number of pages6
JournalActa Crystallographica Section C: Structural Chemistry
Volume74
Issue number8
DOIs
Publication statusPublished - Aug 1 2018

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Facings
Crystal structure
Ligands
Pyridine
Self assembly
ligands
crystal structure
self assembly
pyridines
synthesis
rings
Crystal symmetry
perchlorates
Chelation
Cobalt
Acetonitrile
tetrahedrons
acetonitrile
apexes
cobalt

Keywords

  • Cobalt(II)
  • Crystal structure
  • Encapsulated anion
  • Pocket
  • Supramolecular chemistry
  • Tetrahedral cage

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

@article{f100198a4d0d45d4a1b1e079cd0578af,
title = "Synthesis and crystal structure of an M4L6 tetrahedral cage with outward-facing pockets from a substituted pyrazolyl–pyridine ligand",
abstract = "The self-assembly of metal–polydentate ligands to give supramolecular tetrahedral complexes is of considerable current interest. A new ligand, 4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]methyl}benzyl)-1H-pyrazol-3-yl]pyridine (L), with chelating pyrazolyl–pyridine units substituted on the 4-position of the pyridyl ring with benzyl units, has been synthesized and fully characterized. The self-assembly of L with cobalt(II) gave rise to a tetrahedral cage (hexakis{μ-4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]-methyl}benzyl)-1H-pyrazol-3-yl]pyridine}perchloratotetracobalt(II) octakis-(perchlorate) acetonitrile undecasolvate, [Co4(ClO4)(C38H32N6)6](ClO4)7.-11CH3CN) with approximate T symmetry. The X-ray crystal structure of the cage, i.e. [Co4L6⊂ClO4](ClO4)7, shows that the substituted benzyl groups are oriented away from the centres of their respective ligands towards the CoII vertices, making small outward-facing pockets from three benzyl rings at the corners of the tetrahedron.",
keywords = "Cobalt(II), Crystal structure, Encapsulated anion, Pocket, Supramolecular chemistry, Tetrahedral cage",
author = "Nawal Al-Rasbi and Ward, {Michael D.}",
year = "2018",
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day = "1",
doi = "10.1107/S2053229618009683",
language = "English",
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pages = "961--966",
journal = "Acta crystallographica. Section C, Structural chemistry",
issn = "2053-2296",
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T1 - Synthesis and crystal structure of an M4L6 tetrahedral cage with outward-facing pockets from a substituted pyrazolyl–pyridine ligand

AU - Al-Rasbi, Nawal

AU - Ward, Michael D.

PY - 2018/8/1

Y1 - 2018/8/1

N2 - The self-assembly of metal–polydentate ligands to give supramolecular tetrahedral complexes is of considerable current interest. A new ligand, 4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]methyl}benzyl)-1H-pyrazol-3-yl]pyridine (L), with chelating pyrazolyl–pyridine units substituted on the 4-position of the pyridyl ring with benzyl units, has been synthesized and fully characterized. The self-assembly of L with cobalt(II) gave rise to a tetrahedral cage (hexakis{μ-4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]-methyl}benzyl)-1H-pyrazol-3-yl]pyridine}perchloratotetracobalt(II) octakis-(perchlorate) acetonitrile undecasolvate, [Co4(ClO4)(C38H32N6)6](ClO4)7.-11CH3CN) with approximate T symmetry. The X-ray crystal structure of the cage, i.e. [Co4L6⊂ClO4](ClO4)7, shows that the substituted benzyl groups are oriented away from the centres of their respective ligands towards the CoII vertices, making small outward-facing pockets from three benzyl rings at the corners of the tetrahedron.

AB - The self-assembly of metal–polydentate ligands to give supramolecular tetrahedral complexes is of considerable current interest. A new ligand, 4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]methyl}benzyl)-1H-pyrazol-3-yl]pyridine (L), with chelating pyrazolyl–pyridine units substituted on the 4-position of the pyridyl ring with benzyl units, has been synthesized and fully characterized. The self-assembly of L with cobalt(II) gave rise to a tetrahedral cage (hexakis{μ-4-benzyl-2-[1-(2-{[3-(4-benzylpyridin-2-yl)-1H-pyrazol-1-yl]-methyl}benzyl)-1H-pyrazol-3-yl]pyridine}perchloratotetracobalt(II) octakis-(perchlorate) acetonitrile undecasolvate, [Co4(ClO4)(C38H32N6)6](ClO4)7.-11CH3CN) with approximate T symmetry. The X-ray crystal structure of the cage, i.e. [Co4L6⊂ClO4](ClO4)7, shows that the substituted benzyl groups are oriented away from the centres of their respective ligands towards the CoII vertices, making small outward-facing pockets from three benzyl rings at the corners of the tetrahedron.

KW - Cobalt(II)

KW - Crystal structure

KW - Encapsulated anion

KW - Pocket

KW - Supramolecular chemistry

KW - Tetrahedral cage

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SN - 2053-2296

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