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Updated: Jun 4, 2026

Synthesis and Characterization of 1,2-Dithiolane Modified Self-Assembling Peptides

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Published on: August 20, 2018

Arcyriaflavin A monohydrate.

José A Fernandes¹, Filipe A Almeida Paz, Joana Marques

¹Department of Chemistry, University of Aveiro, CICECO, Portugal.

Acta Crystallographica. Section C, Crystal Structure Communications

|February 3, 2011

Summary

This summary is machine-generated.

This study details the crystal structure of arcyriaflavin A monohydrate. It reveals how molecules self-assemble into 2D layers through hydrogen bonds and π-π stacking for efficient crystal packing.

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Area of Science:

Natural Product Chemistry
Crystallography
Supramolecular Chemistry

Background:

Arcyriaflavin A is a natural product with potential biological activities.
Understanding its solid-state structure is crucial for structure-activity relationship studies.

Purpose of the Study:

To elucidate the crystal structure of arcyriaflavin A monohydrate.
To investigate the intermolecular interactions governing its self-assembly in the solid state.

Main Methods:

Single-crystal X-ray diffraction analysis.
Analysis of hydrogen bonding and π-π stacking interactions.

Main Results:

The asymmetric unit contains arcyriaflavin A monohydrate (C20H11N3O2·H2O).
Molecules form 2D zigzag supramolecular layers parallel to the (102) plane via hydrogen bonding.
Close packing of layers is achieved through π-π stacking and interlayer hydrogen bonds involving water molecules.

Conclusions:

The crystal structure reveals a detailed mechanism of self-assembly for arcyriaflavin A monohydrate.
Hydrogen bonding and π-π stacking are key interactions driving the formation of extended supramolecular architectures.