1. State Key laboratory of Modification for Fibre and Polymer Materials, Donghua University, , Shanghai, 201620 China;2. Shanghai Tanlon Fibre Co. Ltd, , Shanghai, 201419 China;3. Department of Chemistry, The State University of New York at Stony Brook, , Stony Brook, New York, 11794‐3400 USA
Abstract:
The crystal structure of poly(4,4′‐diphenylsulfonyl terephthalamide) (pt‐PSA) is studied by X‐ray diffraction and molecular simulation. Although the number of observed reflections is limited to warrant a precise determination of the unit cell structure and symmetry, a reasonable monoclinic unit cell is suggested with dimensions of a = 0.645 nm, b = 0.488 nm, c = 3.010 nm, and γ = 122.5°. A twofold molecule with two monomeric units forming a large zigzag conformation satisfies the X‐ray diffraction data. A layer structure is formed in the crystal phase, which is stabilized by the hydrogen bond between ? NH and ? C?O and the parallel‐displaced π–π stacking from the distortional coplanarity of the benzene rings and amide group.
