The Structure of 2,1,3-Benzothiadiazole from the NMR Spectrum in the Liquid Crystalline Phase

Abstract
The NMR spectrum of 2,1,3-benzothiadiazole has been studied in the nematic phase of a mixture of 50% 4-methoxybenzylidene-4-amino-α-amethyl cinnamic acid-n-propyl ester and 50% anisole-p-azophenyl-n-capronate. Geometry of the proton skeleton is determined. Values of the HCC angles are calculated from the known CC and CH bond lengths. The preferred molecular orientation is with the C2-axis along the direction of the magnetic field and this resembles the way in which most of the aromatic molecules are oriented under such conditions.