Studies in molecular structure, symmetry and conformation. I. Crystal and molecular structure of 1-aminocyclooctane carboxylic acid hydrobromide

Abstract

Crystals of 1-aminocyclooctanecarboxylic acid hydrobromide are orthorhombic, with a=26·026, b=7·087, c=6·149, Z=4 and space group P2₁2₁2₁. The structure was solved in projections by direct methods and later refined with three-dimensional data using a full-matrix least-squares treatment. All hydrogen atoms were located from a difference Fourier and the final R factor for the 1128 observed reflections was 8·62%. The molecules are held together by a series of hydrogen bonds in a three-dimensional network. A detailed discussion of the intramolecular and the intermolecular features of the structure is presented. The cyclooctane ring is found to exist in the boat-chair conformation.