Learning about intermolecular interactions from the CSD

From 2012’s first issue of J. Chem. Ed … (is it just me, or does it still feel like 2011 to you?)

“A clear understanding and appreciation of noncovalent interactions, especially hydrogen bonding, are vitally important to students of chemistry and the life sciences, including biochemistry, molecular biology, pharmacology, and medicine. In the article “Learning about Intermolecular Interactions from the Cambridge Structural Database” (DOI: 10.1021/ed200139t), Gary M. Battle and Frank H. Allen discuss the opportunities afforded by the IsoStar knowledge base of intermolecular interactions to enhance the educational experience of students, particularly through visualization.

“Derived from experimentally determined crystal structures in the Cambridge Structural Database and Protein Data Bank, IsoStar contains geometrical and spatial information on nearly 30,000 different types of interactions in small molecules and proteins. See the article for detailed descriptions of the example IsoStar scatterplots shown on the cover.”

Further links:

  • Using the CSD for Teaching  links to presentations from a symposium at the 2009 ACS National Meeting in Washington DC (examples “Bond lengths, crystal structure determinations, and research in the undergraduate classroom”; “Using the Cambridge Structural Database to explore concepts of symmetry”)
  • the CSD Documentation page provides teaching examples
  • and finally (ahem!) this blog post from April provides a general overview of the CSD and Dartmouth’s access (“CSDS: The Cambridge Structural Database System,” April 4, 2011)

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