THE CRYSTAL STRUCTURE OF 1,3-DICHLORO-2,4,6 TRINITROBENZENE,
Abstract
1,3-Dichloro-2,4,6-trinitrobenzene crystallizes in the orthorhombic system, space group pbcn, with four molecules in a unit cell of dimensions: a 5.93, b 14.98, c 10.91 A. Atomic positions within the unit cell were determined by interpretation of three-dimensional Patterson calculations followed by refinement by Fourier and least-squares procedures. Each molecule lies on a two-fold axis and contains a benzene ring which is planar but slightly distorted in the direction required to relieve the steric strain of adjacent chlorine and nitro groups. The nitro group in the ''2'' position is rotated 76 degrees out of the plane of the benzene ring, but the symmetrically related nitro groups in the ''4'' and ''6'' positions are rotated only 37 degrees. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 01, 1963
- Accession Number
- AD0413030
Entities
People
- James R. Holden
Organizations
- Naval Ordnance Laboratory