A helical structure with Z' = 10.
| Author | |
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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 |
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2005
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| Journal |
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Acta crystallographica. Section B, Structural science
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| Volume |
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61
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| Issue |
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Pt 2
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| Number of Pages |
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218-26
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| ISSN Number |
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0108-7681
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| URL |
:
http://scripts.iucr.org/cgi-bin/paper?S0108768105004076
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| DOI |
:
10.1107/S0108768105004076
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| Short Title |
:
Acta Crystallogr B
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| Download citation |