5-{[4-(Di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine-1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene (1/2).

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Department of Chemistry, University of Wisconsin-Stevens Point, 2101 Fourth Avenue, Stevens Point, WI 54481, USA.

Published: April 2022

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Article Abstract

The treatment of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine with a threefold excess of 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene in di-chloro-methane solution led to the formation of the unexpected 1:2 title co-crystal, CHN·2CFI. In the extended structure, two unique C-I⋯N halogen bonds from one of the 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecules to the pyrimidine N atoms of the 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecule generate [110] chains and layers of these chains are π-stacked along the axis direction. The second 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecule resides in channels formed parallel to the -axis direction between stacks of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecules and inter-acts with them C-I⋯π(alkyne) contacts.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462022PMC
http://dx.doi.org/10.1107/S2414314622003807DOI Listing

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