Exceptionally large difference in bond length among conformational isomorphs of a hexaphenylethane derivative with a dispiropyracene skeleton

Hidetoshi Kawai, Takashi Takeda, Kenshu Fujiwara, Tamotsu Inabe, Takanori Suzuki

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)

Abstract

A large difference of 0.064(3) Å for a chemically equivalent C sp3-Csp3 bond was observed among crystallographically independent molecules with different conformations (conformational isomorphs) of a hexaphenylethane derivative, dispiro[(10-methylacridan)-9,1′-pyracene- 2′,9″-(10-methylacridan)] (1): triclinic, P1, a = 17.699(3) Å, b = 18.111(3) Å, c = 18.844(3) Å, α = 111.183(2)°, γ = 93.828(1)°, γ = 102.130(2)°, V = 5438.5(14) Å3, T = -180°C, Z = 8 (four independent molecules: A, A′, B, and B′). While B and B′ adopt the skewed conformation to reduce steric repulsion in 1, in other positions of the crystal, molecules A and A′ adopt the eclipsed conformation, which induces a much longer bond length [1.771(3) and 1.758(3) Å versus 1.712(2) and 1.707(2) Å].

Original languageEnglish
Pages (from-to)2256-2260
Number of pages5
JournalCrystal Growth and Design
Volume5
Issue number6
DOIs
Publication statusPublished - 2005 Nov 1
Externally publishedYes

ASJC Scopus subject areas

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

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