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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile
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Two terphenyl-based diol hosts and corresponding solvent inclusions with dimethylformamide and acetonitrile

机译：两个三联苯基二醇主体和与二甲基甲酰胺和乙腈对应的溶剂包含物

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摘要

Having reference to an elongated structural modification of 2,2′-bis(hydroxydiphenylmethyl)biphenyl, (I), the two 1,1′:4′,1′′-terphenyl-based diol hosts 2,2′′-bis(hydroxydiphenylmethyl)-1,1′:4′,1′′-terphenyl, C44H34O2, (II), and 2,2′′-bis[hydroxybis(4-methylphenyl)methyl]-1,1′:4′,1′′-terphenyl, C48H42O2, (III), have been synthesized and studied with regard to their crystal structures involving different inclusions, i.e. (II) with dimethylformamide (DMF), C44H34O2·C2H6NO, denoted (IIa), (III) with DMF, C48H42O2·C2H6NO, denoted (IIIa), and (III) with acetonitrile, C48H42O2·CH3CN, denoted (IIIb). In the solvent-free crystals of (II) and (III), the hydroxy H atoms are involved in intramolecular O—H...π hydrogen bonding, with the central arene ring of the terphenyl unit acting as an acceptor. The corresponding crystal structures are stabilized by intermolecular C—H...π contacts. Due to the distinctive acceptor character of the included DMF solvent species in the crystal structures of (IIa) and (IIIa), the guest molecule is coordinated to the host via O—H...O=C hydrogen bonding. In both crystal structures, infinite strands composed of alternating host and guest molecules represent the basic supramolecular aggregates. Within a given strand, the O atom of the solvent molecule acts as a bifurcated acceptor. Similar to the solvent-free cases, the hydroxy H atoms in inclusion structure (IIIb) are involved in intramolecular hydrogen bonding, and there is thus a lack of host–guest interaction. As a result, the solvent molecules are accommodated as C—H...N hydrogen-bonded inversion-symmetric dimers in the channel-like voids of the host lattice.
机译：参考2,2'-双（羟基二苯基甲基）联苯（I）的细长结构修饰，两个基于1,1'：4'，1''-三联苯的二醇主体为2,2''-bis（羟基二苯甲基）-1,1'：4'，1''-三联苯，C44H34O2，（II）和2,2''-双[羟基双（4-甲基苯基）甲基] -1,1'：4'，1已经合成并研究了涉及不同夹杂物的晶体结构的′′-三联苯，C48H42O2，（III），即（II）与二甲基甲酰胺（DMF），C44H34O2·C2H6NO，表示为（IIa），（III）与DMF ，C48H42O2·C2H6NO，表示为（IIIa），以及（III）与乙腈，C48H42O2·CH3CN，表示为（IIIb）。在（II）和（III）的无溶剂晶体中，羟基H原子参与分子内OH-H ...π氢键结合，而三联苯单元的中心芳烃环充当受体。相应的晶体结构通过分子间的CH-π接触稳定。由于（IIa）和（IIIa）晶体结构中所含DMF溶剂物种的独特受体特性，客体分子通过OH ... O = C氢键与主体配合。在两种晶体结构中，由交替的主体分子和客体分子组成的无限链代表基本的超分子聚集体。在给定的链中，溶剂分子的O原子充当分叉的受体。与无溶剂的情况类似，包含结构（IIIb）中的羟基氢原子参与分子内氢键结合，因此缺乏主体与客体的相互作用。结果，溶剂分子作为CHN ... N氢键结合的反对称二聚体容纳在主体晶格的通道状空隙中。

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