Formation of crystal structure of cyanovinylbenzene derivatives: X-ray structure investigation of ethyl esters of 3,4-dimethoxy-, 3,4,5-trimethoxy-, and 4-fluorobenzylidenecyanoacetic acids
Formation of crystal structure of cyanovinylbenzene derivatives: X-ray structure investigation of ethyl esters of 3,4-dimethoxy-, 3,4,5-trimethoxy-, and 4-fluorobenzylidenecyanoacetic acids
复制标题
氰基乙烯基苯衍生物晶体结构的形成：3,4-二甲氧基-、3,4,5-三甲氧基-和4-氟亚苄基氰乙酸乙酯的X射线结构研究
DOI：
10.1134/1.1376469
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发表时间：
2001
影响因子：
0.7
通讯作者：
M. Y. Antipin
中科院分区：
文献类型：
--
作者：
V. N. Nesterov;L. Kuleshova;M. Y. Antipin
本文用X射线衍射分析法研究了3，4-二甲氧基-、3，4，5-三甲氧基-和4-氟苄叉氰基乙酸乙酯的晶体结构，目的是阐明形成氰乙烯基苯衍生物晶体结构的因素。分析了该系列其他已知衍生物的晶体数据。结果表明，在没有强氢键的情况下，晶体中的主要结构形成功能是由两种类型的分子间接触完成的，即平行和反平行分子的staking接触。反平行分子的桩接触是最常见的。据推测，它们在结构中的存在决定了在所考虑的化合物中中心对称堆积的普遍形成。
Ethyl esters of 3,4-dimethoxy-, 3,4,5-trimethoxy-, and 4-fluorobenzylidenecyanoacetic acids are investigated by X-ray diffraction analysis with the aim of elucidating the factors responsible for the formation of crystal structures of cyanovinylbenzene derivatives. The crystal data for other known derivatives of this series are analyzed. It is revealed that, in the absence of strong hydrogen bonding, the main structure-forming function in crystals is fulfilled by intermolecular contacts of two types, namely, staking contacts of parallel and antiparallel molecules. The staking contacts of antiparallel molecules are most frequently realized. It is assumed that their presence in the structure determines the prevailing formation of centrosymmetric packings in the compounds under consideration.