A helical structure with Z' = 10.
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| Abstract | :  The structure of N''-cyano-N,N-diisopropylguanidine, a push-pull nitrile that includes the H(2)N-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. | 
| Year of Publication | :  2005 | 
| Journal | :  Acta crystallographica. Section B, Structural science | 
| Volume | :  61 | 
| Issue | :  Pt 2 | 
| Number of Pages | :  218-26 | 
| ISSN Number | :  0108-7681 | 
| URL | :  http://scripts.iucr.org/cgi-bin/paper?S0108768105004076 | 
| DOI | :  10.1107/S0108768105004076 | 
| Short Title | :  Acta Crystallogr B | 
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