What is it about?

It's about linking the structures of molecules logically with their crystal structures. These links are established by analysing the molecular packing in crystals in a novel way.

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Why is it important?

Two new analytical tools are introduced: 2D packing fractions and molecular based cells. These provide new opportunities for systematic crystal engineering.


The original ideas here came to me over thirty years ago, whilst working on my Ph.D. thesis. Only recently have I been able to find the time to develop them further. In the meantime computers have become much more powerful and versatile, thereby facilitating work of this kind.

Professor Noel William Thomas
Hochschule Koblenz

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This page is a summary of: A novel characterization of organic molecular crystal structures for the purpose of crystal engineering, Acta Crystallographica Section B Structural Science Crystal Engineering and Materials, July 2015, International Union of Crystallography, DOI: 10.1107/s2052520615011312.
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