Locking high energy 1D chain of dichloromethane molecules containing abnormally short Cl···Cl contacts of 2.524 Å inside organic crystals

Org Biomol Chem. 2012 Aug 7;10(29):5525-8. doi: 10.1039/c2ob25888a. Epub 2012 Jun 26.

Abstract

1D helical channels can be created by "sticky" end-mediated formation of 1D helical stacks composed of short cavity-containing helices and are able to host 1D chains of dichloromethane molecules containing extraordinarily short intermolecular Cl···Cl contacts of 2.524 Å in length that computationally destabilize the host-guest complex by 14.94 kcal mol(-1).

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Binding Sites
  • Crystallography, X-Ray
  • Methylene Chloride / chemistry*
  • Models, Molecular
  • Molecular Structure
  • Thermodynamics

Substances

  • Methylene Chloride