Room-temperature monoclinic and low-temperature triclinic phase-transition structures of meso-octamethylcalix[4]pyrrole-dimethyl sulfoxide (1/1)

Acta Crystallogr C. 2001 Dec;57(Pt 12):1426-8. doi: 10.1107/s0108270101015931. Epub 2001 Dec 6.

Abstract

Crystals of the title complex, C28H36N4*C2H6OS, undergo a phase transition between room temperature and 198 K, as determined by X-ray diffraction techniques. A monoclinic form is observed at room temperature, while a triclinic modification is found at 198 K, with Z' changing from 1 to 2. Differential scanning calorimetry (DSC) of the calixpyrrole-dimethyl sulfoxide complex revealed a series of phase changes between 273 and 243 K. The transition from the room-temperature monoclinic form to the low-temperature triclinic form is reversible, as determined by changes in the cell dimensions from remeasuring selected reflections at room temperature and at temperatures below 223 K. The uncomplexed calix[4]pyrrole molecule shows no phase changes occurring between room temperature and 233 K, the low-temperature limit of the DSC.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Calorimetry, Differential Scanning
  • Crystallization
  • Crystallography, X-Ray
  • Models, Molecular
  • Molecular Structure
  • Pyrroles / chemistry*
  • Temperature*

Substances

  • Pyrroles
  • meso-octamethylcalix(4)pyrrole-dimethyl sulfoxide