Packing conflicts in the Z′ = 5 structure of CF3(CF 2)3(CH2)10COOH

Hans Joachim Lehmler, Sean Parkin, Carolyn Pratt Brock

Research output: Contribution to journalArticlepeer-review

17 Scopus citations


Dimers of the partially fluorinated amphiphile 1-(perfluorobutyl)undecanoic acid, CF3(CF2)3(CH2) 10COOH, crystallize in the same basic packing arrangement found for many n-alkyl carboxylic acids. The unit cell of the fluorinated compound, however, contains five independent molecules rather than the one found for most n-alkyl carboxylic acids including CH3(CH2) 13COOH. The structures of the two C15 acids are compared. The structural modulations that lead to the large value of Z′ can be understood as resulting from the conflict between the necessity of filling space densely and uniformly and the tendency of unlike groups to be segregated spatially. The few other known structures of compounds with both (CF 2)n and (CH2)m regions show evidence of the same conflict.

Original languageEnglish
Pages (from-to)325-332
Number of pages8
JournalActa Crystallographica Section B: Structural Science
Issue number3
StatePublished - Jun 2004

ASJC Scopus subject areas

  • General Biochemistry, Genetics and Molecular Biology


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