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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Novel, predicted patterns of supramolecular self-assembly, afforded by tetrameric R-4(4)(12) rings of C-2 symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1-cyclohexanecarboxylic acid and 2-hydroxy-1-cyclohepta
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Novel, predicted patterns of supramolecular self-assembly, afforded by tetrameric R-4(4)(12) rings of C-2 symmetry in the crystal structures of 2-hydroxy-1-cyclopentanecarboxylic acid, 2-hydroxy-1-cyclohexanecarboxylic acid and 2-hydroxy-1-cyclohepta

机译：由2-羟基-1-环戊烷羧酸，2-羟基-1-环己烷羧酸的晶体结构中的C-2对称性的四聚体R-4（4）（12）环提供的超分子自组装的新型预测模式和2-羟基-1-环庚

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Determination of the crystal structures of the homologous (1R*,2R*)-trans-2-hydroxy-1-cyclopentanecarboxylic acid (5T), (1R*,2S*)-cis-2-hydroxy-1-cyclohexanecarboxylic acid (6C) and (1R*,2S*)-cis-2-hydroxy-1-cycloheptanecarboxylic acid (7C) proved a predicted pattern of supramolecular close packing. The prediction was based on the common features observed in the crystal structures of six related 2-hydroxy-1-cyclopentanecarboxylic acids and analogous carboxamides [Kalman et al. (2001). Acta Cryst. B57, 539-550]. This pattern is characterized by tetrameric R-4(4)(12) rings of C-2 symmetry formed from dimeric R-2(2)(12) rings. The C-2 symmetry of such tetramers is not common in the literature, usually they have C-i symmetry. Both types of tetramers are formed from dimers with similar or opposite orientation. The R-2(2)(12) dimers differ in their hydrogen bonds. In 5T the monomers are joined by a pair of O1-H ... O2=C bonds, whereas in 7C they are joined by a pair of O3-H...O1-H bonds. In 6C 60% of the disordered R-2(2)(12) dimers are similar to those in 7C, while 40% resemble those in 5T. Apart from these hydrogen-bonding differences and the ring-size differences, the three crystals exhibit isostructurality. [References: 23]
机译：同源（1R *，2R *）-反-2-羟基-1-环戊烷羧酸（5T），（1R *，2S *）-顺-2-羟基-1-环己烷羧酸（6C）的晶体结构测定）和（1R *，2S *）-顺-2-羟基-1-环庚烷羧酸（7C）证明了超分子紧密堆积的预测模式。该预测是基于在六种相关的2-羟基-1-环戊烷羧酸和类似的羧酰胺的晶体结构中观察到的共同特征[Kalman et al。 （2001）。 Acta Cryst。 B57，539-550]。该图案的特征在于由二聚体R-2（2）（12）环形成的C-2对称性的四聚体R-4（4）（12）环。这种四聚体的C-2对称性在文献中并不普遍，通常它们具有C-1对称性。两种类型的四聚体均由具有相似或相反取向的二聚体形成。 R-2（2）（12）二聚体的氢键不同。在5T中，单体通过一对O1-H ... O2 = C键连接，而在7C中，它们通过一对O3-H ... O1-H键连接。在6C中，60％的无序R-2（2）（12）二聚体与7C中的相似，而40％与5T中的相似。除了这些氢键差异和环尺寸差异以外，这三种晶体还表现出同构性。 [参考：23]

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