A NUCLEAR QUADRUPOLE RESONANCE AND X-RAY STUDY OF THE CRYSTAL STRUCTURE OF 2,5DICHLOROANILINE,

Abstract

The crystal structure of 2,5-dichloroaniline, C6H3Cl2NH2, was determined by the combined application of nuclear quadrupole resonance and X-ray diffraction. The molecule is planar, except for the nitrogen which deviates slightly, by 0.06 A. The benzene ring is slightly deformed from the regular hexagon and the observed bond lengths agree well with the result of a simple molecular orbital calculation. There is no hydrogen bonding in the structure. The shortest intermolecular Cl...Cl distance, 3.37 A, is shorter than the usually quoted van der Waals distance of 3.6 A. (Author)

Document Details

Document Type
Technical Report
Publication Date
May 11, 1962
Accession Number
AD0613489

Entities

People

  • G. A. Jeffrey
  • M. Sundaralingam
  • T. Sakurai

Organizations

  • University of Pittsburgh

Tags

DTIC Thesaurus Topics

  • Crystal Structure
  • Crystals
  • Diffraction
  • Hydrogen
  • Molecules
  • Nitrogen
  • Nuclear Quadrupole Resonance
  • Resonance
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry
  • Physics

Readers

  • Materials Science and Engineering.
  • Mathematics or Statistics
  • Quantum Chemistry

Technology Areas

  • Space