2,3,5,6-tetrakis[3,5-bis(trifluoromethyl) phenoxy]-2,5-bis(dimethylamino) 2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate
2,3,5,6-tetrakis[3,5-bis(trifluoromethyl) phenoxy]-2,5-bis(dimethylamino) 2,3,5,6-tetrabora-1,4-dioxane diethyl ether 0.667-solvate
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DOI：
10.1107/s010827010703569x
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发表时间：
2007-10-01
期刊：
影响因子：
--
通讯作者：
Scott, Andrew. J.
中科院分区：
文献类型：
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作者：
Clegg, William;Marder, Todd B.;Scott, Andrew. J.
标题化合物，C36 H26 B4 F24 N2 O 6中心点0.667C（4）H（10）O，具有中心对称的四硼二氧杂环己烷分子，其中三个分子的一半包含不对称单元以及一个乙醚分子。无序影响溶剂分子的大部分CF 3基团和一个乙基。B_4 O_2环近似平面，含有两个三角形B原子和两个扭曲四面体构型的B原子，四配位B原子的B - O键比三配位B原子的长. N-H中心点O氢键将两个晶体学上独立的分子连接在一起，而第三个分子通过N-H中心点O氢键与两个溶剂分子形成离散的三分子簇。这是第一个晶体学表征的例子，四硼二氧杂环己烷分子含有四配位和三配位B原子。
The title compound, C36H26B4F24N2O6 center dot 0.667C(4)H(10)O, has centrosymmetric tetraboradioxane molecules, half each of three of these comprising the asymmetric unit together with a molecule of diethyl ether. Disorder affects most of the CF3 groups and one ethyl group of the solvent molecule. The B4O2 rings are approximately planar and contain two B atoms with trigonal geometry and two with distorted tetrahedral geometry, the B - O bonds for the four- coordinate B atoms being longer than those for the three- coordinate B atoms. N H center dot center dot center dot O hydrogen bonds link two of the crystallographically independent molecules together in chains, while the third molecule forms discrete trimolecular clusters with two solvent molecules via N - H center dot center dot center dot O hydrogen bonds. This is the first crystallographically characterized example of a tetraboradioxane molecule containing both four- and three- coordinate B atoms.