Four-layered [3.3]meta-cyclo-phane with ethene-tetra-carbo-nitrile.
Four-layered [3.3]meta-cyclo-phane with ethene-tetra-carbo-nitrile.
复制标题
DOI：
10.1107/s1600536814009362
复制
发表时间：
2014-05-01
期刊：
影响因子：
--
通讯作者：
Shinmyozu T
中科院分区：
文献类型：
--
作者：
Shibahara M;Watanabe M;Goto K;Shinmyozu T
以四层[3.3]间环烷（MCP）和两个四氰乙基（TCNE）分子为原料，在氯仿溶液中合成了C42H48·2C6N4(系统名称：七环[21.13.1.15,19.16,18.110,14.124,36.128,32]-四环-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-十二烯-乙烯-四碳-腈（1/2）}配合物C42H48·2C6N4。四层[3.3]MCP呈s形结构，其中三个[3.3]MCP部分呈顺（chair-boat）、反（chair-boat）和顺（chair-boat）构象。两个外部的[3.3]MCP部分具有同步的几何结构，含有倾斜32.95(7)°的苯环。中心[3.3]MCP部分具有反几何结构，其中两个苯环在跨环距离为2.31 Å处彼此平行。tne分子以3.19 Å和3.24 Å的距离堆叠在外[3.3]MCP单元两侧，无序度分别为0.80:0.20和0.44:0.56。
The title complex C42H48·2C6N4 {systematic name: heptacyclo[21.13.1.15,19.16,18.110,14.124,36.128,32]dotetraconta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodecaene–ethenetetracarbonitrile (1/2)}, consisting of four-layered [3.3]metacyclophane (MCP) with two tetracyanoethylene (TCNE) molecules, was grown from a mixture of MCP and TCNE in chloroform solution. The four-layered [3.3]MCP has an S-shaped structure in which three [3.3]MCP moieties take syn-(chair-boat), anti-(chair-boat) and syn-(chair-boat) conformations. The two outer [3.3]MCP moieties with syn geometry contain benzene rings with a tilt of 32.95 (7)°. The central [3.3]MCP moiety has an anti geometry, in which the two benzene rings are oriented parallel to each other at a transannular distance of 2.31 Å. The TCNE molecules are stacked on either side of the outer [3.3]MCP units at a distance of 3.19 Å on one side and 3.24 Å on the other, and showed 0.80:0.20 and 0.44:0.56 disorder, respectively.