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Updated: May 24, 2026

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
3-Fluoro-12H-benzimidazo[2,1-b][1,3]benzothia-zin-12-one
Abstract:
In the title compound, C(14)H(7)FN(2)OS, prepared by the reaction of 2-bromo-4-fluoro-benzoyl choride with 2-mercaptobenzimidazole, the four-membered fused-ring system is essentially planar [maximum deviation from the mean plane = 0.035 (2) Å]. The crystal packing is stabilized by weak inter-molecular π-π [minimum ring centroid-centroid separation = 3.509 (7) Å], weak C-F⋯π [F⋯centroid = 3.4464 (17) Å, C-F⋯centroid = 97.72 (11)°] and C-O⋯π [O⋯centroid = 3.5230 (16) and 3.7296 (17) Å, C-O⋯centroid = 86.40 (10) and 86.25 (10)°] inter-actions and weak inter-molecular C-H⋯N hydrogen bonds.
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