What is it about?

The publication explores the Hirshfeld Surface and overall intermolecular interactions on the solid-state structure of thiourea derived from anthraquinone and explores the supramolecular architecture of the complex matrix formed by these interactions and the changes in surface energy due to these interactions.

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Why is it important?

This work is essential because it helps us understand the various energetic forces at play on the surface of the crystal structure and how these forces and small changes in them could affect properties like solubility, p.H, lipophilicity, and electron transfer reactions


This article is another addition to our series on small molecule X-ray crystallography; however, working with a new collaborator on this particular project brought some new dimensions

Obinna okpareke
University of Nigeria, Nsukka

Read the Original

This page is a summary of: Crystal structure, Hirshfeld surface and computational study of 1-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-propanoylthiourea, Acta Crystallographica Section E Crystallographic Communications, March 2022, International Union of Crystallography,
DOI: 10.1107/s2056989022003127.
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