首页> 外文期刊>IUCrData >N,N,N-Tri-ethyl-ethanaminium 5,11,17,23-tetra-tert-butyl-25-[(eth--oxy-carbon-yl)-meth-oxy]-26,28-dihy-dr-oxy-27-oxido-2,8,14,20-tetra-thia-calix[4]arene: a mol-ecular salt
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N,N,N-Tri-ethyl-ethanaminium 5,11,17,23-tetra-tert-butyl-25-[(eth--oxy-carbon-yl)-meth-oxy]-26,28-dihy-dr-oxy-27-oxido-2,8,14,20-tetra-thia-calix[4]arene: a mol-ecular salt

机译:N,N,N-三乙基乙胺5,11,17,23-四叔丁基-25-[(eth-oxy-carbon-yl)-meth-oxy] -26,28-dihy- dr-oxy-27-oxid-2,8,14,20-四硫杂杯[4]芳烃:一种分子盐

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摘要

In the title mol-ecular salt, C8H20N+·C44H53O6S4?, the conformation of the anionic tetra-thia-calix[4]arene, which is cone-shaped, is primarily determined by intra-molecular O—H?O hydrogen bonds. There are also short intra-molecular C— H?O contacts present. The guest species do not sit within the bowl of the calixarene. One of the?t-butyl groups in the anion is disordered over two sets of sites with refined occupancies of 0.706?(6) and 0.294?(6). Atoms of both cations are equally disordered over centers of symmetry. In the crystal, extensive O—H?O and C—H?O hydrogen bonds and weak O—H?S inter-actions link the thia-calixarene anions and tetra-ethyl-ammonium cations, forming a three-dimensional network.
机译:在标题分子盐C8H20N +·C44H53O6S4′中,呈圆锥状的阴离子型四硫杂杯[4]芳烃的构型主要由分子内的OHH2O氢键决定。还存在短的分子内C-H 2 O接触。来宾物种不坐在杯芳烃的碗内。阴离子中的一个叔丁基基团在两组位置上无序排列,精制占比为0.706?(6)和0.294?(6)。两种阳离子的原子在对称中心上均无序。在晶体中,广泛的OH-OH和CHOH氢键以及弱的OH-S相互作用将硫杂杯芳烃阴离子和四乙基铵阳离子连接起来,形成三维网络。

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