Packing conflicts in the Z' = 5 structure of CF(3)(CF(2))(3)(CH(2))(10)COOH.
Packing conflicts in the Z' = 5 structure of CF(3)(CF(2))(3)(CH(2))(10)COOH.
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CF(3)(CF(2))(3)(CH(2))(10)COOH 的 Z = 5 结构中存在堆积冲突。
DOI：
10.1107/s0108768104005609
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发表时间：
2004
期刊：
影响因子：
--
通讯作者：
Brock,CarolynPratt
中科院分区：
文献类型：
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作者：
Lehmler,HansJoachim;Parkin,Sean;Brock,CarolynPratt
部分氟化两亲物 1-(全氟丁基)十一烷酸 CF3(CF2)3(CH2)10COOH 的二聚体以与许多正烷基羧酸相同的基本堆积排列方式结晶。然而，氟化化合物的晶胞包含五个独立的分子，而不是大多数正烷基羧酸（包括 CH3(CH2)13COOH）的晶胞。比较了两种 C15 酸的结构。导致Z'值较大的结构调制可以理解为密集均匀地填充空间的必要性与不同群体在空间上分离的趋势之间的冲突的结果。同时具有 (CF2)n 和 (CH2)m 区域的化合物的其他少数已知结构显示了相同冲突的证据。
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 (CF2)n and (CH2)m regions show evidence of the same conflict.