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Synthesis, Structure and Hirshfeld Surface Analysis of Phosphine–Imidazolium Salt

Alexey V. Smarun, +2 more
- 08 Jun 2020 - 
- Vol. 2020, Iss: 2
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TLDR
In this article, the crystal structure of a phosphine-imidazolium salt was reported, which crystallized in monoclinic space group P21/c with a = 16.6623(13) (A), b = 10.6686(8)(A) and c = 12.8916(11) with = 110.232(2).
Abstract
In the field of homogeneous catalysis, particularly in anti-Markovnikov hydration, sterically demanding phosphine ligand has found to be very effective. Here we report the crystal structure of a phosphine-imidazolium salt which crystallized in monoclinic space group P21/c with a = 16.6623(13) (A), b = 10.6686(8) (A) and c = 12.8916(11) with = 110.232(2). Hirshfeld surface analysis show that the halogen–hydrogen interaction leads to a formation of 1D chain.

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Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals

TL;DR: In this article , the 3DHirshfeld surfaces, 2D print plots, molecular structural features, and crystal structure relationships were described, and statistical discussion focused on crystalline water and perspective on ligand-protein docking were also mentioned.
References
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Journal ArticleDOI

The Halogen Bond

TL;DR: The specific advantages brought up by a design based on the use of the halogen bond will be demonstrated in quite different fields spanning from material sciences to biomolecular recognition and drug design.
Journal ArticleDOI

Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

TL;DR: Examples of crystal engineering where one can build up from previous knowledge with a focus that is provided by the modern definition of the halogen bond are illustrated and the similarities and differences between halogen bonds and hydrogen bonds are commented on.
Journal ArticleDOI

Extensive Isomerization of Alkenes Using a Bifunctional Catalyst: An Alkene Zipper

TL;DR: Catalyzed movement of alkene double bonds up to 30 positions has been accomplished using a catalyst featuring a cationic CpRu fragment and bifunctional imidazolylphosphine, facilitating isomerization between terminal and (E)-alkenes and accelerating conversions by factors of up to 1 × 104.
Journal ArticleDOI

Combined Effects of Metal and Ligand Capable of Accepting a Proton or Hydrogen Bond Catalyze Anti‐Markovnikov Hydration of Terminal Alkynes

TL;DR: Compound 1 proves to be an excellent catalyst for a highly selective anti-Markovnikov hydration of terminal alkynes to give aldehydes rather than isomeric ketones under near-neutral conditions.
Journal ArticleDOI

Mild and Selective Deuteration and Isomerization of Alkenes by a Bifunctional Catalyst and Deuterium Oxide

TL;DR: An exceptional degree of deuteration is achieved at positions accessible to isomerization, with a high degree of control.
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