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Updated: Jun 1, 2026

Scale-up Chemical Synthesis of Thermally-activated Delayed Fluorescence Emitters Based on the Dibenzothiophene-S,S-Dioxide Core
Published on: October 24, 2017
Dimethyl 5-amino-2,4,6-triiodo-isophthalate
Pei Zou1, Shi-Neng Luo, Min-Hao Xie
1Jiangsu Institute of Nuclear Medicine, Wuxi 214063, People's Republic of China.
Abstract:
The title compound, C(10)H(8)I(3)NO(4), crystallizes with two mol-ecules in the asymmetric unit. The I atoms and the benzene ring plane in the two mol-ecules are approximately coplanar, the I atoms deviating by -0.1631 (1), 0.0704 (1) and -0.0507 (1) Å from the mean plane of the benzene ring in one mol-ecule and by 0.1500 (1), -0.0034 (1) and -0.1213 (1) Å in the other. The planes of the ester groups are almost orthogonal to those of the benzene rings in both mol-ecules, forming dihedral angles of 83.5 (3), 76.4 (3), 97.3 (1) and 75.7 (1)°. The mean planes of the benzene rings in two mol-ecules are inclined at 69.8 (3)° with respect to each other. In the crystal, inter-molecular I⋯O inter-actions link the mol-ecules into infinite chains. In addition, N-H⋯O and non-classical C-H⋯O hydrogen bonds are observed.

