A helical structure with Z′ = 10

Xiang Hao, Jing Chen, Arthur Cammers, Sean Parkin, Carolyn Pratt Brock

Research output: Contribution to journalArticlepeer-review

36 Scopus citations


The structure of N″-cyano-N,N-diisopropylguanidine, a push-pull nitrile that includes the H2N-C=N-CN fragment, has been determined. Although the number of molecules in the asymmetric unit is exceptionally high (Z′ = 10), there were no special crystallographic difficulties associated with data collection, structure solution or structure refinement because the individual molecules are small (12 non-H atoms) and because there is no important crystallographic pseudosymmetry. A complete set of N-H⋯N bonds is formed. Pairs of molecules form dimers, which associate to form ribbons that twist into a helix having five dimers per turn. The helices lie parallel to [101] and fit together with close contacts in three different directions perpendicular to that axis. The problems with optimizing so many different intermolecular contacts lead to a loosely packed structure.

Original languageEnglish
Pages (from-to)218-226
Number of pages9
JournalActa Crystallographica Section B: Structural Science
Issue number2
StatePublished - Apr 2005

ASJC Scopus subject areas

  • General Biochemistry, Genetics and Molecular Biology


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