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Synthesis and X-Ray Structure of a Ditopic Ligand for Constructing Crown Ether-Based Metalloassemblies.

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Title: Synthesis and X-Ray Structure of a Ditopic Ligand for Constructing Crown Ether-Based Metalloassemblies.
Authors: Fallon, G. D.1, Langford, S. J.1 s.langford@sci.monash.edu.au, Lau, V.-L.1
Source: Molecular Crystals & Liquid Crystals. 2005, Vol. 440 Issue 1, p223-233. 11p.
Subjects: Crystallography, Crystals, Hydrogen bonding, Physical & theoretical chemistry, Ligands (Chemistry)
Abstract: A novel dialkylammonium salt, 1.PF 6 , bearing a pyridyl group has been prepared and characterised by x-ray crystallography: triclinic space group P-1, a = 8.8141(1), b = 9.8902(2), c = 10.2611(1), Å and α = 82.008(1)°, β = 85.212(1)°, γ = 71.058(1)°, Z = 2, R = 0.0542 for 3902 independent reflections. The hydrogen-bonded tape generated within the crystal lattice is augmented by water molecules between the divided units in an N-H...O and O-H...N py manner. The nature of the [2]pseudorotaxane formed upon the addition of DB24C8 to 1.PF 6 (K a = 2293 M -1 ) is characterised in the solid state (monoclinic space group P 2 1 /c, a = 14.3808(4), b = 15.0194(4), c = 18.2599(6), Å and β = 95.723(1)°, Z = 4, R = 0.0766 for 9313 independent reflections) by hydrogen bonds between NH 2 and CH 2 groups of the guest with polyether oxygens of the crown ether. These hydrogen bond distances vary with close contacts between 2.01 and 2.58 Å. 1 H NMR spectroscopy and mass spectrometry further support the presence of the [2]pseudorotaxane in solution. [ABSTRACT FROM AUTHOR]
Copyright of Molecular Crystals & Liquid Crystals is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Synthesis and X-Ray Structure of a Ditopic Ligand for Constructing Crown Ether-Based Metalloassemblies.
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  Data: A novel dialkylammonium salt, 1.PF 6 , bearing a pyridyl group has been prepared and characterised by x-ray crystallography: triclinic space group P-1, a = 8.8141(1), b = 9.8902(2), c = 10.2611(1), Å and α = 82.008(1)°, β = 85.212(1)°, γ = 71.058(1)°, Z = 2, R = 0.0542 for 3902 independent reflections. The hydrogen-bonded tape generated within the crystal lattice is augmented by water molecules between the divided units in an N-H...O and O-H...N py manner. The nature of the [2]pseudorotaxane formed upon the addition of DB24C8 to 1.PF 6 (K a = 2293 M -1 ) is characterised in the solid state (monoclinic space group P 2 1 /c, a = 14.3808(4), b = 15.0194(4), c = 18.2599(6), Å and β = 95.723(1)°, Z = 4, R = 0.0766 for 9313 independent reflections) by hydrogen bonds between NH 2 and CH 2 groups of the guest with polyether oxygens of the crown ether. These hydrogen bond distances vary with close contacts between 2.01 and 2.58 Å. 1 H NMR spectroscopy and mass spectrometry further support the presence of the [2]pseudorotaxane in solution. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
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  Data: <i>Copyright of Molecular Crystals & Liquid Crystals is the property of Taylor & Francis Ltd and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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      – SubjectFull: Hydrogen bonding
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      – TitleFull: Synthesis and X-Ray Structure of a Ditopic Ligand for Constructing Crown Ether-Based Metalloassemblies.
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