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Co-crystals with acetylene: small is not simple!

Michael T Kirchner¹, Dieter Bläser, Roland Boese

¹Institut für anorganische Chemie, Universität Duisburg Essen, Universitätsstrasse 5, 45117 Essen, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)

|December 24, 2009

Summary

Acetylene co-crystal formation with small molecules presents challenges. Despite expectations, predicting crystal structures and interactions remains difficult, highlighting the complexity of multicomponent crystal engineering.

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Area of Science:

Supramolecular Chemistry
Materials Science
Chemical Crystallography

Background:

Acetylene is a versatile building block for co-crystal formation.
Co-crystallization with small molecules offers insights into intermolecular interactions.
Crystal engineering aims to design and synthesize materials with desired properties.

Purpose of the Study:

To explore the formation of co-crystals using acetylene and small molecules.
To analyze intermolecular interactions and driving forces in multicomponent crystal formation.
To investigate packing patterns and stoichiometries in acetylene-based co-crystals.

Main Methods:

Synthesis and characterization of 19 co-crystals involving acetylene.
Analysis of crystal structures and intermolecular interactions.
Comparison of experimental results with theoretical expectations.

Main Results:

Nineteen co-crystals with acetylene were synthesized and analyzed.
Observed co-crystal formation did not consistently meet initial theoretical predictions.
Unexpected outcomes highlight the complexity of predicting multicomponent crystal structures.

Conclusions:

Co-crystal formation with acetylene and small molecules is challenging.
Predicting multicomponent crystal structures requires further theoretical development.
The presented crystal structures serve as valuable data for future research.