3,4-Bis(1-adamantyl)-1,2-dithiete: the first structurally characterized dithiete unsupported by a ring or benzenoid frame.
3,4-Bis(1-adamantyl)-1,2-dithiete: the first structurally characterized dithiete unsupported by a ring or benzenoid frame.
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3,4-双(1-金刚烷基)-1,2-二硫醚：第一个具有结构特征的二硫醚，不由环或苯环框架支撑。
DOI：
10.1107/s0108270198002935
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发表时间：
1998
期刊：
影响因子：
--
通讯作者：
Holm,RH
中科院分区：
文献类型：
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作者：
Donahue,JP;Holm,RH
本文报道了3，4-双（1-金刚烷基）-1，2-二硫杂环丁烷（C10 H15）2C 2S 2或C22 H30 S2）的结构测定，这是第一个不含苯型骨架的1，2-二硫杂环丁烷分子的晶体学表征。两个独立的分子存在于由伪反转中心分开的不对称单元中。S2 C2四元二硫杂环是平面的，与烯键[平均1.363（6）π]相比，较长的二硫键[平均2.086（2）π]增强了梯形形状。 金刚烷基取代基通过相对于二硫杂环采用略微不同的旋转构象而彼此不同。金刚烷基的季碳仅略微偏离二硫杂环的平面（平均位移为0.023 π）。
The structure determination of 3,4-bis(1-adamantyl)-1,2-dithiete, (C10H15)2C2S2 or C22H30S2, reported herein is the first crystallographic characterization of a 1,2-dithiete molecule unsupported by a benzenoid frame. Two independent molecules exist in the asymmetric unit separated by a pseudo-inversion center. The S2C2 four-membered dithiete ring is planar, with a trapezoidal shape enforced by the longer disulfide bond [average 2.086 (2) Å] compared with the olefinic bond [average 1.363 (6) Å]. The adamantyl substituents differ from one another by adopting slightly different rotational conformations with respect to the dithiete ring. The quaternary carbons of the adamantyl groups deviate only slightly from the plane of the dithiete ring (average displacement of 0.023 Å).