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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol
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Solid-state compounds of stereoisomers: cis and trans isomers of 1,2-cyclohexanediol and 2,3-tetralindiol

机译：立体异构体的固态化合物：1,2-环己二醇和2,3-四氢萘二醇的顺式和反式异构体

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摘要

The phases of 1,2,3,4-tetrahydro-2,3-naphthalenediol (or 2,3-tetralindiol) and of 1,2-cyclohexanediol have been investigated. The structure of a very stable 1:1 compound (or co-crystal) of the cis and trans isomers of 2,3-tetralindiol, the existence of which has been known for nearly a century, has finally been determined. No evidence of any analogous compound between the cis and trans isomers of 1,2-cyclohexanediol has been found. The formation of solid-state compounds of stereoisomers is rare; it probably occurs only if the crystal packing of at least one of the isomers is unfavorable, e.g. if at least one of the melting points is lower than expected. Compound formation is usually unlikely because of the difficulty of simultaneously optimizing the translational spacings for both isomers, but that packing problem is avoided in the cis/trans compound of 2,3-tetralindiol because the two isomers are in very similar environments. In the structures of the individual 2,3-tetralindiol isomers there are clear conflicts between the competing packing requirements of the 1,2-diol moiety and the aromatic ring system; these conflicts are resolved better in the co-crystal than in the structures of the individual isomers.
机译：已经研究了1,2,3,4-四氢-2,3-萘二醇（或2,3-四氢萘二醇）和1,2-环己二醇的相。最终确定了存在非常快的一个世纪的2,3-四氢萘二醇的顺式和反式异构体的非常稳定的1：1化合物（或共晶体）的结构。没有发现1，2-环己二醇的顺式和反式异构体之间存在任何类似化合物的证据。立体异构体的固态化合物的形成很少。仅当至少一种异构体的晶体堆积不利时才可能发生。如果至少一个熔点低于预期。由于很难同时优化两种异构体的翻译间隔，通常不太可能形成化合物，但是由于两种异构体处于非常相似的环境中，因此避免了在2,3-四氢萘二醇的顺式/反式化合物中的堆积问题。在各个2,3-四氢萘二醇异构体的结构中，1,2-二醇部分的竞争性填充要求与芳环系统之间存在明显的矛盾;这些冲突在共晶体中比在单个异构体的结构中得到更好的解决。

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