The crystal structure of 1,2-bis[2-methyl-5-(3-cyanophenyl)-3-thienyl]-3,3,4,4,5,5-hexafluoro-cyclopent-1-ene, C₂₉H₁₆F₆N₂S₂

Abstract

CCDC no.: 1540211The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters. Source of materialThe title compound was prepared according to the literature method [3] in 76.42% yield. The title compound was recrystallized from hexane at room temperature and colorless crystals were obtained. Experimental detailsHydrogen atoms were placed in calculated positions and allowed to ride on their parent atoms. Residual electron density maps indicated the presence of disorder, particularly for the hexafluoropentene moiety, which could not be modelled satisfactorily and which ultimately resulted in deviations from normal geometry. Refinement of a disordered model was hampered by the fact that the molecule sits on a special position (2-fold rotation axis). The presence of whole-molecule disorder for this ambient-temperature dataset cannot be ruled out in this instance. DiscussionPhotochromic compounds that behave as key smart materials in various optoelectronic devices, can specifically switch the physical and chemical properties between two or more states, when stimulated with different wavelength of light [4]. In the past decades, scientists have been paying much attention to the design and fabrication of functional photochromic