Da-Yun Luo, Lan Ma, Zhixu Zhou
Dec 1, 2019
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Influential Citations
4
Citations
Journal
Journal of Molecular Structure
Abstract
Abstract A new mecarbinate derivative, ethyl 6-bromo-5-((5-bromopyrimidin-2-yl)oxy)-2-((2,6- dimethylmorpholino)methyl)-1-methyl-1H-indole-3-carboxylate (1), was synthesized, and single crystals were grown by the gradual evaporation of acetone under ambient conditions. The optimized molecular crystal structure was determined based on DFT calculations at the B3LYP/6311G (2 d, p) level. Experimental and theoretical studies on the structure of the titled compound are presented.