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Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
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3-(4-Chloro-phen-yl)-1-cyclo-propyl-2-(2-fluoro-phen-yl)-5-phenyl-pentane-1,5-dione
Thothadri Srinivasan1, Govindaraj Senthilkumar, Haridoss Manikandan
1Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.
Abstract:
In the title compound, C26H22ClFO2, the cyclo-propane ring is disordered over two orientations, with site-occupancy factors of 0.64 (2) and 0.36 (2). The major occupancy component of the cyclo-propane ring makes dihedral angles of 47.6 (7), 50.4 (7) and 65.4 (7)° with the fluoro-, chloro- and unsubstituted benzene rings, respectively [the corresponding values for the minor occupancy component are 47.6 (12), 51.0 (12) and 60.9 (12)°]. An intra-molecular C-H⋯O hydrogen bond occurs. The F and Cl atoms deviate by 0.0508 (12) and 0.0592 (7) Å from the planes of their attached benzene rings. In the crystal, C-H⋯F hydrogen bonds link the mol-ecules into chains along the b-axis direction.
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