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首页> 外文期刊>Journal of chemical crystallography >Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane
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Crystal structures of the cis and trans isomers of a tetrathia[3.3.3.3]cyclophane

机译：四硫[[3.3.3.3]]环烷的顺式和反式异构体的晶体结构

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摘要

Both the cis and trans isomers of 3,11,18,26-tetrathiatricyclo[26.2.2.1(5.9).2(13.16).1(20.24)] hexatriaconta 5,7,9,20,22,24-hexene have been prepared and structurally characterized. Each of these centrosymmetric tetrathia dimers includes two cyclohexane rings in chair conformations with either 1,4-cis or 1,4-tr ans bonding and two meta-substituted benzene rings. The cis isomer packs into the monoclinic space group P2(1)/a with a = 10.485(3)Angstrom b = 10.3956(18)Angstrom c = 14.1343(10)Angstrom beta = 105.200(13)degrees, Z = 2 and refined to an R factor of 0,046. The tracts isomer crystallizes in the monoclinic space,group P2(1)/c with a 10.7217(12)Angstrom b = 5.6797(7)Angstrom c = 25.415(5)Angstrom beta = 96.001(12)degrees Z = 2 and refined to an R factor of 0.043. In the cis structure each benzene ring faces a cyclohexane ring while in the trans. structure the cyclohexane rings face one another. [References: 5]
机译：3,11,18,26-四硫代三环[26.2.2.1（5.9）.2（13.16）.1（20.24）]六角锥虫5,7,9,20,22,24-己烯的顺式和反式异构体均已制备并进行结构表征。这些中心对称的四硫杂二聚体中的每一个都包括两个在椅子构象上的环己烷环，具有1，4-顺式或1，4-TRANS键和两个间位取代的苯环。顺式异构体以a = 10.485（3）埃b = 10.3956（18）埃c = 14.1343（10）埃β= 105.200（13）度，Z = 2并精炼成单斜晶空间群P2（1）/ a R系数为0.046。管道异构体在单斜空间P2（1）/ c组中结晶，其10.7217（12）埃b = 5.6797（7）埃c = 25.415（5）埃贝塔= 96.001（12）Z = 2并精炼为R系数为0.043。在顺式结构中，每个苯环在反式时面对环己烷环。环己烷环的结构彼此面对。 [参考：5]

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