A helical structure with Z′=10

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 center dot center dot center dot 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.