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Journal of the American Chemical Society· 2013Q1

Crystal Engineering: From Molecule to Crystal

Gautam R. Desiraju

Short summary

Crystal engineering provides a framework for understanding and designing crystal structures by relating molecular structure to crystal topology and properties, with the supramolecular synthon as a key concept.

AI-generated from the title and abstract; the full text is not read.

Key points

  • Crystal engineering seeks to understand and control the formation of crystal structures from molecules.
  • The supramolecular synthon is a crucial concept for designing and predicting crystal structures.
  • The field draws on expertise from multiple chemistry and science disciplines.
  • Understanding the relationship between molecular structure and crystal properties is a central goal.

AI-generated from the title and abstract; the full text is not read.

Abstract

How do molecules aggregate in solution, and how do these aggregates consolidate themselves in crystals? What is the relationship between the structure of a molecule and the structure of the crystal it forms? Why do some molecules adopt more than one crystal structure? Why do some crystal structures contain solvent? How does one design a crystal structure with a specified topology of molecules, or a specified coordination of molecules and/or ions, or with a specified property? What are the relationships between crystal structures and properties for molecular crystals? These are some of the questions that are being addressed today by the crystal engineering community, a group that draws from the larger communities of organic, inorganic, and physical chemists, crystallographers, and solid state scientists. This Perspective provides a brief historical introduction to crystal engineering itself and an assessment of the importance and utility of the supramolecular synthon, which is one of the most important concepts in the practical use and implementation of crystal design. It also provides a look to the future from the viewpoint of the author, and indicates some directions in which this field might be moving.

The authors' abstract, as published at the source. Journal of the American Chemical Society, 2013 · DOI ↗

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Field: Physical and Theoretical Chemistry

Physical and Theoretical ChemistryChemistry