Four-layered [3.3]metacyclophane with ethenetetracarbonitrile

Masahiko Shibahara, Motonori Watanabe, Kenta Goto, Teruo Shinmyozu

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1 Citation (Scopus)


The title complex C42H48·2C6N 4 {systematic name: heptacyclo[,19.1 6,18.110,14.124,36.128,32] 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 2.31Å. The TCNE molecules are stacked on either side of the outer [3.3]MCP units at a distance of 3.19Å on one side and 3.24Å on the other, and showed 0.80:0.20 and 0.44:0.56 disorder, respectively.

Original languageEnglish
Pages (from-to)o625-o626
JournalActa Crystallographica Section E: Structure Reports Online
Issue number5
Publication statusPublished - May 2014

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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