Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube

Marco Milone; Ilenia Pisagatti; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Giovanna Brancatelli; Neal Hickey; Silvano Geremia

doi:10.1039/d3ra08764f

January 1, 2024RSC AdvancesOpen Access

Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube

View Full Paper

Ask AI

Bookmark

Share

Key Points

Investigate how solvent interactions and hydrogen-bonding competitors influence the conformational flexibility and crystal packing of an octaurea-calix[4]tube.
Performed X-ray crystallography to analyze the asymmetric conformations adopted by the octaurea-calix[4]tube across different solvent environments.
Characterized the orientations of ureido groups and calix[4]arene subunits in two distinct crystal forms (α and β).
Resolved two distinct crystal forms (α and β) displaying calix[4]arene subunits with pinched-cone conformations.
Identified head-to-tail ureido alignments in the α form versus head-to-head and tail-to-tail orientations in the β form driven by solvent hydrogen bonding.
Observed pseudo-capsular 1D supramolecular polymeric arrays in the β form that pack to produce large parallel solvent channels.

Implication

Crystallographic analysis reveals solvent-dependent conformational switching in an octaurea-calix[4]tube, highlighting pathways for supramolecular channel assembly.

Discussion

No takes yet. Share an insight, caveat, or question.

Cite This Study

Milone et al. (2024) studied this question.

synapsesocial.com/papers/6a8a7d9af030e20138de8e99 https://doi.org/10.1039/d3ra08764f

View Full Paper

Ask AI

Bookmark

Share

Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube

Key Points

Implication

Discussion

Cite This Study

Influence of H-bond competitors on the solvent-dependent structures of an octaurea-calix[4]tube

Key Points

Implication

Discussion

Cite This Study

Keep reading

Keep reading