A helical structure with Z' = 10.
Author | |
---|---|
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
|
Download citation |