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Crystal structure of a four-layered [3.3](3,5)pyridino-phane.

ABSTRACT: The title compound, C40H46N2 {systematic name: 12,30-di-aza-hepta-cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do-tetra-conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca-ene}, has syn-anti-syn geometry wherein the two outer [3.3]meta-cyclo-phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26?(10) and 26.46?(10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated at a slight angle of 2.66?(9)°. Three bridging methyl-ene groups are disordered over two sets of sites in a 0.60:0.40 ratio. In the crystal, the mol-ecules are linked by C-H?N inter-actions and inter-molecular C-H?? short contacts, generating a three-dimensional network.

SUBMITTER: Shibahara M

PROVIDER: S-EPMC4257295 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of a four-layered [3.3](3,5)pyridino-phane.

Shibahara Masahiko M Watanabe Motonori M Matsumoto Taisuke T Goto Kenta K Shinmyozu Teruo T

Acta crystallographica. Section E, Structure reports online 20141031 Pt 11

The title compound, C40H46N2 {systematic name: 12,30-di-aza-hepta-cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do-tetra-conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca-ene}, has syn-anti-syn geometry wherein the two outer [3.3]meta-cyclo-phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26 (10) and 26.46 (10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated ...[more]

PMID: 25484771

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