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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C—H?O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates
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Steric repulsion and supra-molecular assemblies via a two-dimensional plate by C—H?O hydrogen bonds in two closely related 2-(benzo-furan-2-yl)-2-oxoethyl benzoates

机译：在两个紧密相关的2-（苯并呋喃-2-基）-2-氧代乙基苯甲酸酯中通过CH2O氢键通过二维板进行立体排斥和超分子组装

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摘要

2-(Benzo-furan-2-yl)-2-oxoethyl 2-chloro-benzoate, C17H11ClO4 (I), and 2-(benzo-furan-2-yl)-2-oxoethyl 2-meth-oxy-benzoate, C18H14O5 (II), were synthesized under mild conditions. Their chemical and mol-ecular structures were analyzed by spectroscopic and single-crystal X-ray diffraction studies, respectively. These compounds possess different ortho-substituted functional groups on their phenyl rings, thus experiencing extra steric repulsion force within their mol-ecules as the substituent changes from 2-chloro (I) to 2-meth-oxy (II). The crystal packing of compound (I) depends on weak inter-molecular hydrogen bonds and π–π inter-actions. Mol-ecules are related by inversion into centrosymmetric dimers via C—H?O hydrogen bonds, and further strengthened by π–π inter-actions between furan rings. Conversely, mol-ecules in compound (II) are linked into alternating dimeric chains propagating along the [101] direction, which develop into a two-dimensional plate through extensive inter-molecular hydrogen bonds. These plates are further stabilized by π–π and C—H?π inter-actions.
机译：2-氯苯甲酸2-（苯并呋喃-2-基）-2-氧代乙基酯，C17H11ClO4（I）和2-甲基-氧-苯甲酸2-（苯并呋喃-2-基）-2-氧代乙基酯， C18H14O5（II）在温和条件下合成。它们的化学和分子结构分别通过光谱和单晶X射线衍射研究进行了分析。这些化合物在其苯环上具有不同的邻位取代的官能团，因此当取代基从2-氯（I）变为2-甲基-氧基（II）时，它们的分子内会受到额外的空间排斥力。化合物（I）的晶体堆积取决于弱的分子间氢键和π-π相互作用。摩尔分子通过C–H？O氢键转化为中心对称二聚体，并通过呋喃环之间的π–π相互作用进一步增强。相反，化合物（II）中的分子连接到沿[101]方向传播的交替二聚链，该链通过广泛的分子间氢键发展成二维平板。这些板块通过π–π和CHHπ相互作用进一步稳定。

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