1,2,3,4,5,6,7,8-Octahydroanthracene-9,10-dicarbonitrile at 172, 216, 256, and 297 K

Doyle Britton, Saliya A. DeSilva, Paul G. Gassman

Research output: Contribution to journalArticle

Abstract

Octahydroanthracenedicarbonitrile is monoclinic, space group P21/c, at 172 K, a = 4.723(7), b = 8.254(3), c = 16.190(7) Å, β = 91.76(8)o, Z = 2, V = 630.8(12) Å3. The molecule, located on a center of symmetry, is disordered between the two senses of puckering in the aliphatic ring. The structure was also determined at 216, 256, and 297 K. The disorder increases with increasing temperature and can be described by a van't Hoff relationship with ΔH = 5.2(3) kJ mol-1 and ΔS = 13.8(12) J K-1 mol-1.

Original languageEnglish
Pages (from-to)949-953
Number of pages5
JournalJournal of Chemical Crystallography
Volume29
Issue number8
DOIs
StatePublished - 1 Jan 1999

Keywords

  • 1,2,3,4,5,6,7,8-octahydroanthracene-9,10-dicarbonitrile
  • Disorder
  • Enthalpy and entropy of disorder
  • Packing effects

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