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

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, C14H13N3·2CF4I2. 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 a-axis direction. The second 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecule resides in channels formed parallel to the a-axis direction between stacks of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecules and inter-acts with them via C-I⋯π(alkyne) contacts.