Advanced crystallisation methods for small organic molecules

Metherall, J P; Carroll, Robert C; Coles, Simon J.; Hall, Michael J.; Probert, Michael R.

doi:10.1039/d2cs00697a

Cited by 32 publications

(45 citation statements)

References 111 publications

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“…Follow-on investigations from this work will use crystallographic databases to identify functional group propensity to form strong intermolecular interactions with similar groups. This will provide insight into which functionalities are more likely to form strong guest-guest interactions and therefore may be more successfully analysed with other CS variants or different advanced crystallization methods (Metherall et al, 2023). This work will also consider the influence of host distortion which has already been shown to vary greatly depending on the guest exchanged within the framework.…”

Section: Discussionmentioning

confidence: 99%

A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges

Carroll

Harrowven

Pearce

et al. 2023

Int Union Crystallogr J

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Utilization of the crystalline sponge {[(ZnI2)3(tpt)2·x(solvent)] n } method has enabled characterization of a novel family of synthetic organic oils. The systematic structural differences and diversity of functional groups offered by 13 related molecular adsorbates provide a detailed quantitative understanding of the relationship between the guest structure, its conformation, and the type of intermolecular interactions adopted with neighbouring guests and the host framework. This analysis is extended to assess the connection of these factors to the resulting quality indicators for a particular molecular structure elucidation.

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Section: Discussionmentioning

confidence: 99%

A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges

Carroll

Harrowven

Pearce

et al. 2023

Int Union Crystallogr J

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“…The seed crystals provide well-developed nucleation sites that enable further material deposition that can be effective for producing X-ray-sized single crystals. [45,46] In general, make a concentrated solution of the desired macrocycles in a glass vial (the solution can be heated to get a clear solution and filter if required). Using a pipette transfer the seed crystals to the above saturated solution.…”

Section: Use Of Seed Crystals and Effect Of Counter Ionsmentioning

confidence: 99%

Step‐By‐Step Tips to Grow X‐Ray Quality Single Crystals of Metal Macrocyclic Complexes

Gupta

Lee

2023

Cryst. Res. Technol.

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Metal macrocyclic complexes, which are formed through a self-assembly process due to the presence of several coordinating sites in the metal and ligand source, represent an interesting class of complexes due to their intriguing structures and functionalities. Although spectral characterization of metal macrocyclic complexes is reported, elucidation of their exact structure at the molecular level remains challenging. Single-crystal X-ray diffraction (SCXRD) is a non-destructive analytical technique that can provide detailed information about the internal lattice of crystalline structure. However, it requires the growth of single crystals of suitable sizes and quality. This study provides an overview of methods that are most useful for developing single crystals of metal macrocyclic complexes, particularly when the macrocycle of interest is present in extremely low quantities (a few milligrams). The reproducibility of previous methods reporting the crystal growth of different metal macrocycles is also investigated. A review highlighting and summarizing the most common tips to grow single crystals for metal macrocyclic complexes can help in understanding and optimizing the growth of crystals suitable for SCXRD.

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“…This Tutorial Review will discuss the characterisation of hydrogen bonds in the solid state using single crystal X-ray diffraction and related techniques, and aims to be complementary to recent reviews about characterising supramolecular assemblies via techniques other than diffraction, 24 and on advanced crystallisation methods for small organic molecules 25 published in this journal. As such, it is hoped that this article will act as a guide for supramolecular chemists and other chemists interested in hydrogen bonding, building on earlier reviews like those discussing the hydrogen bond in the context of crystal engineering and the solid state by Aakero ¨y and Seddon (1993), 3 and Steiner (2002).…”

Section: Introductionmentioning

confidence: 99%

Hydrogen atoms in supramolecular chemistry: a structural perspective. Where are they, and why does it matter?

Thompson,

White

2023

Chem. Soc. Rev.

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Advanced crystallisation methods for small organic molecules

Abstract: Four advanced methods for the crystallisation of organic molecules are presented: crystalline sponge, tetraaryladamantane chaperones, microbatch under-oil and encapsulated nanodroplet crystallisation, alongside an overview of classical techniques.

Cited by 32 publications

References 111 publications

A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges

A systematic study of the interplay between guest molecule structure and intermolecular interactions in crystalline sponges

Step‐By‐Step Tips to Grow X‐Ray Quality Single Crystals of Metal Macrocyclic Complexes

Hydrogen atoms in supramolecular chemistry: a structural perspective. Where are they, and why does it matter?

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