Single-Crystal Diffraction Analysis of 2-(Trimethylsilylethynyl)-4- Nitro-N,N-Dimethylaniline

Abstract

Single-crystal x-ray diffraction data was collected on 2- (Trimethylsilylethynyl)-4-nitro-N,N-dimethylaniline, C13H18N2O2Si, an intermediate isolated in the synthesis of compounds having potential nonlinear optical (NLO) properties. The title compound is a derivative of 2-Methyl-4- nitroaniline (NMA), a molecule with known nonlinear optical properties. It crystallizes in a monoclinic crystal lattice with cell constants of a=20.258(6), b=10.444(4), c=7.129(2) A, and B=93.05(2). The observed space group is P2(1)/c, a centric space group. The structure was solved and refined, yielding a R-factor of 0.085. C13H18N2O2Si is planar with little distortion in the internal bond distances and angles. X-ray diffraction, Single-crystal, Nonlinear optical materials, Crystal structure, Molecular structure, Nitroaniline, Organic compounds, Polymers.

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Document Details

Document Type
Technical Report
Publication Date
Jul 01, 1989
Accession Number
ADA218955

Entities

People

  • Albert V. Fratini
  • David A. Grossie
  • W. W. Adams

Organizations

  • Wright State University

Tags

Communities of Interest

  • Air Platforms
  • C4I

DTIC Thesaurus Topics

  • Air Force
  • Air Force Facilities
  • Chemistry
  • Crystal Lattices
  • Crystal Structure
  • Diffraction
  • Distortion
  • Materials
  • Materials Laboratories
  • Materials Science
  • Optical Materials
  • Optical Properties
  • Plastic Explosives
  • Scattering
  • Single Crystals
  • X Rays
  • X-Ray Diffraction

Fields of Study

  • Chemistry

Readers

  • Materials Science and Engineering.
  • Organic Chemistry

Technology Areas

  • Space