pi-Stacked dimers in 6-methoxy-3,3-dimethyl-3H-benzo[f]chromene, and centrosymmetric dimers containing C-H...pi(arene) hydrogen bonds in racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene

Acta Crystallogr C. 2007 Oct;63(Pt 10):o568-71. doi: 10.1107/S0108270107039194. Epub 2007 Sep 1.

Abstract

The title compounds, namely 6-methoxy-3,3-dimethyl-3H-benzo[f]chromene, C(16)H(16)O(2), (III), and racemic 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene, C(20)H(21)BrO(2), (IV), were both synthesized in one-step regioselective Wittig reactions from substituted 1,2-naphthoquinones. The new ring in both compounds adopts a screw-boat conformation. A single pi-pi stacking interaction links the molecules of (III) into centrosymmetric dimeric aggregates, and a single C-H...pi(arene) hydrogen bond links the molecules of (IV) into centrosymmetric dimers.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Benzopyrans / chemistry*
  • Carbon / chemistry*
  • Crystallography, X-Ray
  • Dimerization
  • Heterocyclic Compounds, 4 or More Rings / chemistry*
  • Hydrogen / chemistry*
  • Hydrogen Bonding
  • Models, Molecular
  • Molecular Structure
  • Stereoisomerism

Substances

  • 3-bromo-2,2,6,6-tetramethyl-3,4-dihydro-2H,6H-1,5-dioxatriphenylene
  • 6-methoxy-3,3-dimethyl-3H-benzo(f)chromene
  • Benzopyrans
  • Heterocyclic Compounds, 4 or More Rings
  • Carbon
  • Hydrogen