Crystal structure of asymmetric organic semiconductor 7-decyl-2-phenyl[1]benzothieno[3,2-<i>b</i>][1]benzothiophene

Abstract

A full X-ray crystal structure analysis of 7-decyl-2-phenyl[1]benzothieno[3,2-b][1]benzothiophene (Ph-BTBT-C10), reported to be a promising semiconducting component for high-performance organic thin-film transistors, has been carried out. The analysis revealed the formation of a bilayer-type crystal structure composed of alternating antiparallel polar monomolecular layers that are formed by the herringbone packing of asymmetric molecules. The large and highly isotropic calculated intermolecular interactions within the two-dimensional semiconducting layers indicate the potentially excellent semiconducting performance of Ph-BTBT-C10.